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

Systemtic Name: 2-azanyl-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[4-(1-benzimidazolylmethyl)-2-thiophenyl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-5-keto-1-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C31H29N5O2S MolecularWeight: 535.65926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)OC)N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)OC)N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)C1)C

InChI

InChI=1S/C31H29N5O2S/c1-31(2)13-25-29(26(37)14-31)28(22(15-32)30(33)36(25)20-8-10-21(38-3)11-9-20)27-12-19(17-39-27)16-35-18-34-23-6-4-5-7-24(23)35/h4-12,17-18,28H,13-14,16,33H2,1-3H3