3-[1-(3,4-dichlorophenyl)-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propyl]-2-methyl-isoquinolin-1-one

Systemtic Name: 3-[1-(3,4-dichlorophenyl)-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propyl]-2-methyl-isoquinolin-1-one Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-(4-hydroxy-4-phenyl-1-piperidyl)propyl]-2-methyl-isoquinolin-1-one CAS Name: 3-[1-(3,4-dichlorophenyl)-3-(4-hydroxy-4-phenyl-1-piperidinyl)propyl]-2-methyl-1-isoquinolinone IUPAC Name: 3-[1-(3,4-dichlorophenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2-methylisoquinolin-1-one Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-(4-hydroxy-4-phenyl-piperidino)propyl]-2-methyl-isocarbostyril Formula: C30H30Cl2N2O2 MolecularWeight: 521.4774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=CC=C2C1=O)C(CCN3CCC(CC3)(C4=CC=CC=C4)O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CN1C(=CC2=CC=CC=C2C1=O)C(CCN3CCC(CC3)(C4=CC=CC=C4)O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C30H30Cl2N2O2/c1-33-28(20-21-7-5-6-10-25(21)29(33)35)24(22-11-12-26(31)27(32)19-22)13-16-34-17-14-30(36,15-18-34)23-8-3-2-4-9-23/h2-12,19-20,24,36H,13-18H2,1H3