4-[[(2S)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-3-(4-methyl-6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-quinolin-2-one

Systemtic Name: 4-[[(2S)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-3-(4-methyl-6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-quinolin-2-one Openeye Name: 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-(4-methyl-6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-quinolin-2-one CAS Name: 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(1-piperazinyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one IUPAC Name: 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-(4-methyl-6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-quinolin-2-one Traditional Name: 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-(4-methyl-6-piperazino-1H-benzimidazol-2-yl)carbostyril Formula: C29H29ClN6O2 MolecularWeight: 529.03256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(N2)C3=C(C4=CC=CC=C4NC3=O)NCC(C5=CC(=CC=C5)Cl)O)N6CCNCC6

Isomeric SMILES

CC1=CC(=CC2=C1N=C(N2)C3=C(C4=CC=CC=C4NC3=O)NC[C@H](C5=CC(=CC=C5)Cl)O)N6CCNCC6

InChI

InChI=1S/C29H29ClN6O2/c1-17-13-20(36-11-9-31-10-12-36)15-23-26(17)35-28(33-23)25-27(21-7-2-3-8-22(21)34-29(25)38)32-16-24(37)18-5-4-6-19(30)14-18/h2-8,13-15,24,31,37H,9-12,16H2,1H3,(H,33,35)(H2,32,34,38)/t24-/m1/s1