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Inherent Properties, Identifiers and References
ChemSpider ID: 4026758
Empirical Formula: C29H23N3O2
Molecular Weight: 445.5118
Nominal Mass: 445 Da
Average Mass: 445.5118 Da
Monoisotopic Mass: 445.179027 Da
Systematic Name: 5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-10-methyl-7-oxa-3,4,6-​triazabenzo[de]anthracene
SMILES: n1c(cc3c4c1nc(nc4Oc2ccc(cc23)C)c5ccc(c(c5)C)C)c6ccc(OC)cc6 Copy
InChI: InChI=1/C29H23N3O2/c1-16-5-12-25-22(13-16)23-15-24(19-8-10-21(33-​4)11-9-19)30-28-26(23)29(34-25)32-27(31-28)20-7-6-17(2)18(3)14-20​/h5-15H,1-4H3 Copy
InChIKey: VPJDQCLSOORFAM-UHFFFAOYAY
Std. InChI: InChI=1S/C29H23N3O2/c1-16-5-12-25-22(13-16)23-15-24(19-8-10-21(33​-4)11-9-19)30-28-26(23)29(34-25)32-27(31-28)20-7-6-17(2)18(3)14-2​0/h5-15H,1-4H3 Copy
Std. InChIKey: VPJDQCLSOORFAM-UHFFFAOYSA-N
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