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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[4-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[4-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[4-[(4-pyrrolidinopiperidino)methyl]phenyl]quinoline-3-carbonitrile Formula: C34H37N5 MolecularWeight: 515.69108

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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(C=C4)CN5CCC(CC5)N6CCCC6)C

Isomeric SMILES

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

InChI

InChI=1S/C34H37N5/c1-24-5-12-32(25(2)19-24)37-34-29(21-35)22-36-33-20-28(10-11-31(33)34)27-8-6-26(7-9-27)23-38-17-13-30(14-18-38)39-15-3-4-16-39/h5-12,19-20,22,30H,3-4,13-18,23H2,1-2H3,(H,36,37)