2-azanyl-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-1-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-1-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[4-(1-benzimidazolylmethyl)-5-methyl-2-thiophenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-5-keto-1-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C29H24N6O3S MolecularWeight: 536.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N)CN5C=NC6=CC=CC=C65

Isomeric SMILES

CC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N)CN5C=NC6=CC=CC=C65

InChI

InChI=1S/C29H24N6O3S/c1-17-18(15-33-16-32-22-8-2-3-9-23(22)33)12-26(39-17)27-21(14-30)29(31)34(24-10-5-11-25(36)28(24)27)19-6-4-7-20(13-19)35(37)38/h2-4,6-9,12-13,16,27H,5,10-11,15,31H2,1H3