4-[(2-azanylcyclohexyl)amino]-5-(1H-benzimidazol-2-yl)-6-chloranyl-3-(4-methylpiperazin-1-yl)-1H-quinolin-2-one

Systemtic Name: 4-[(2-azanylcyclohexyl)amino]-5-(1H-benzimidazol-2-yl)-6-chloranyl-3-(4-methylpiperazin-1-yl)-1H-quinolin-2-one Openeye Name: 4-[(2-aminocyclohexyl)amino]-5-(1H-benzimidazol-2-yl)-6-chloro-3-(4-methylpiperazin-1-yl)-1H-quinolin-2-one CAS Name: 4-[(2-aminocyclohexyl)amino]-5-(1H-benzimidazol-2-yl)-6-chloro-3-(4-methyl-1-piperazinyl)-1H-quinolin-2-one IUPAC Name: 4-[(2-aminocyclohexyl)amino]-5-(1H-benzimidazol-2-yl)-6-chloro-3-(4-methylpiperazin-1-yl)-1H-quinolin-2-one Traditional Name: 4-[(2-aminocyclohexyl)amino]-5-(1H-benzimidazol-2-yl)-6-chloro-3-(4-methylpiperazino)carbostyril Formula: C27H32ClN7O MolecularWeight: 506.04228

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C=CC(=C3C4=NC5=CC=CC=C5N4)Cl)NC2=O)NC6CCCCC6N

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C=CC(=C3C4=NC5=CC=CC=C5N4)Cl)NC2=O)NC6CCCCC6N

InChI

InChI=1S/C27H32ClN7O/c1-34-12-14-35(15-13-34)25-24(30-18-7-3-2-6-17(18)29)23-21(33-27(25)36)11-10-16(28)22(23)26-31-19-8-4-5-9-20(19)32-26/h4-5,8-11,17-18H,2-3,6-7,12-15,29H2,1H3,(H,31,32)(H2,30,33,36)