2-butyl-6-[(3,4-dimethoxyphenyl)methyl]-3-(methylamino)-5-nitro-9-oxidanylidene-1-phenyl-10H-acridine-4-carboxamide

Systemtic Name: 2-butyl-6-[(3,4-dimethoxyphenyl)methyl]-3-(methylamino)-5-nitro-9-oxidanylidene-1-phenyl-10H-acridine-4-carboxamide Openeye Name: 2-butyl-6-[(3,4-dimethoxyphenyl)methyl]-3-(methylamino)-5-nitro-9-oxo-1-phenyl-10H-acridine-4-carboxamide CAS Name: 2-butyl-6-[(3,4-dimethoxyphenyl)methyl]-3-(methylamino)-5-nitro-9-oxo-1-phenyl-10H-acridine-4-carboxamide IUPAC Name: 2-butyl-6-[(3,4-dimethoxyphenyl)methyl]-3-(methylamino)-5-nitro-9-oxo-1-phenyl-10H-acridine-4-carboxamide Traditional Name: 2-butyl-9-keto-3-(methylamino)-5-nitro-1-phenyl-6-veratryl-10H-acridine-4-carboxamide Formula: C34H34N4O6 MolecularWeight: 594.65696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=C(N2)C(=C(C=C4)CC5=CC(=C(C=C5)OC)OC)[N+](=O)[O-])C(=O)N)NC

Isomeric SMILES

CCCCC1=C(C(=C2C(=C1C3=CC=CC=C3)C(=O)C4=C(N2)C(=C(C=C4)CC5=CC(=C(C=C5)OC)OC)[N+](=O)[O-])C(=O)N)NC

InChI

InChI=1S/C34H34N4O6/c1-5-6-12-22-26(20-10-8-7-9-11-20)27-31(28(34(35)40)29(22)36-2)37-30-23(33(27)39)15-14-21(32(30)38(41)42)17-19-13-16-24(43-3)25(18-19)44-4/h7-11,13-16,18,36H,5-6,12,17H2,1-4H3,(H2,35,40)(H,37,39)