2-azanyl-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(2-chloranylpyridin-3-yl)-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-(2-chloranylpyridin-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-1-(2-chloro-3-pyridyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[4-(1-benzimidazolylmethyl)-2-thiophenyl]-1-(2-chloro-3-pyridinyl)-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-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-1-(2-chloro-3-pyridyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C29H25ClN6OS MolecularWeight: 541.0664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25ClN6OS/c1-29(2)11-22-26(23(37)12-29)25(18(13-31)28(32)36(22)21-8-5-9-33-27(21)30)24-10-17(15-38-24)14-35-16-34-19-6-3-4-7-20(19)35/h3-10,15-16,25H,11-12,14,32H2,1-2H3