4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[4-[(4-isopropylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[4-[(4-propan-2-yl-1-piperazinyl)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[4-[(4-isopropylpiperazino)methyl]phenyl]quinoline-3-carbonitrile Formula: C34H34ClN7S MolecularWeight: 608.19866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

InChI

InChI=1S/C34H34ClN7S/c1-23(2)42-16-14-41(15-17-42)22-24-4-6-25(7-5-24)26-8-10-29-31(18-26)38-21-27(20-36)33(29)39-28-9-11-32(30(35)19-28)43-34-37-12-13-40(34)3/h4-13,18-19,21,23H,14-17,22H2,1-3H3,(H,38,39)