3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]-6-chloranyl-4-phenyl-1H-quinolin-2-one

Systemtic Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]-6-chloranyl-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-piperidyl]-6-chloro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]-6-chloro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-6-chloro-4-phenyl-1H-quinolin-2-one Traditional Name: 6-chloro-4-phenyl-3-[3-(4-piperonylpiperazine-1-carbonyl)piperidino]carbostyril Formula: C33H33ClN4O4 MolecularWeight: 585.09252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CC(CN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C33H33ClN4O4/c34-25-9-10-27-26(18-25)30(23-5-2-1-3-6-23)31(32(39)35-27)38-12-4-7-24(20-38)33(40)37-15-13-36(14-16-37)19-22-8-11-28-29(17-22)42-21-41-28/h1-3,5-6,8-11,17-18,24H,4,7,12-16,19-21H2,(H,35,39)