4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[3-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[3-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[3-[(4-pyrrolidinopiperidino)methyl]phenyl]quinoline-3-carbonitrile Formula: C38H36ClN5S MolecularWeight: 630.24394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)CC3=CC=CC(=C3)C4=CC5=NC=C(C(=C5C=C4)NC6=CC(=C(C=C6)SC7=CC=CC=C7)Cl)C#N

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)CC3=CC=CC(=C3)C4=CC5=NC=C(C(=C5C=C4)NC6=CC(=C(C=C6)SC7=CC=CC=C7)Cl)C#N

InChI

InChI=1S/C38H36ClN5S/c39-35-23-31(12-14-37(35)45-33-9-2-1-3-10-33)42-38-30(24-40)25-41-36-22-29(11-13-34(36)38)28-8-6-7-27(21-28)26-43-19-15-32(16-20-43)44-17-4-5-18-44/h1-3,6-14,21-23,25,32H,4-5,15-20,26H2,(H,41,42)