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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyrrolidinopiperidino)methyl]-3-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=CSC(=C4)CN5CCC(CC5)N6CCCC6)C

Isomeric SMILES

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

InChI

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