2-azanyl-4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-(1-benzimidazolylmethyl)-2,5-dimethylphenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethylphenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-(3-nitrophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H32N6O3 MolecularWeight: 572.65628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N)C)CN5C=NC6=CC=CC=C65

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N)C)CN5C=NC6=CC=CC=C65

InChI

InChI=1S/C34H32N6O3/c1-20-12-22(18-38-19-37-27-10-5-6-11-28(27)38)21(2)25(13-20)31-26(17-35)33(36)39(23-8-7-9-24(14-23)40(42)43)29-15-34(3,4)16-30(41)32(29)31/h5-14,19,31H,15-16,18,36H2,1-4H3