4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-pyrrolidinopiperidino)methyl]-2-furyl]quinoline-3-carbonitrile Formula: C36H34ClN5OS MolecularWeight: 620.20606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)CC3=CC=C(O3)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=C(O3)C4=CC5=NC=C(C(=C5C=C4)NC6=CC(=C(C=C6)SC7=CC=CC=C7)Cl)C#N

InChI

InChI=1S/C36H34ClN5OS/c37-32-21-27(9-13-35(32)44-30-6-2-1-3-7-30)40-36-26(22-38)23-39-33-20-25(8-11-31(33)36)34-12-10-29(43-34)24-41-18-14-28(15-19-41)42-16-4-5-17-42/h1-3,6-13,20-21,23,28H,4-5,14-19,24H2,(H,39,40)