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

Systemtic Name: 2-azanyl-4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-(1-benzimidazolylmethyl)-2,5-dimethylphenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethylphenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-5-keto-1-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C35H35N5O2 MolecularWeight: 557.6847

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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=C(C=C4)OC)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=C(C=C4)OC)N)C#N)C)CN5C=NC6=CC=CC=C65

InChI

InChI=1S/C35H35N5O2/c1-21-14-23(19-39-20-38-28-8-6-7-9-29(28)39)22(2)26(15-21)32-27(18-36)34(37)40(24-10-12-25(42-5)13-11-24)30-16-35(3,4)17-31(41)33(30)32/h6-15,20,32H,16-17,19,37H2,1-5H3