4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]-2-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-2-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyrrolidinopiperidino)methyl]-2-thienyl]quinoline-3-carbonitrile Formula: C32H35N5S MolecularWeight: 521.7188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CN5CCC(CC5)N6CCCC6)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CN5CCC(CC5)N6CCCC6)C

InChI

InChI=1S/C32H35N5S/c1-22-5-9-29(23(2)17-22)35-32-25(19-33)20-34-30-18-24(6-8-28(30)32)31-10-7-27(38-31)21-36-15-11-26(12-16-36)37-13-3-4-14-37/h5-10,17-18,20,26H,3-4,11-16,21H2,1-2H3,(H,34,35)