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

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[4-[(4-oxidanylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[4-[(4-hydroxy-1-piperidyl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-[(4-hydroxy-1-piperidinyl)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-[(4-hydroxypiperidino)methyl]phenyl]quinoline-3-carbonitrile Formula: C34H29ClN4OS MolecularWeight: 577.13826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

Isomeric SMILES

C1CN(CCC1O)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C34H29ClN4OS/c35-31-19-27(11-13-33(31)41-29-4-2-1-3-5-29)38-34-26(20-36)21-37-32-18-25(10-12-30(32)34)24-8-6-23(7-9-24)22-39-16-14-28(40)15-17-39/h1-13,18-19,21,28,40H,14-17,22H2,(H,37,38)