2-(4-chlorophenyl)-4-piperidin-1-ylcarbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-chlorophenyl)-4-piperidin-1-ylcarbonyl-isoquinolin-1-one Openeye Name: 2-(4-chlorophenyl)-4-(piperidine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(4-chlorophenyl)-4-[oxo(1-piperidinyl)methyl]-1-isoquinolinone IUPAC Name: 2-(4-chlorophenyl)-4-(piperidine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(4-chlorophenyl)-4-(piperidine-1-carbonyl)isocarbostyril Formula: C21H19ClN2O2 MolecularWeight: 366.84076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O2/c22-15-8-10-16(11-9-15)24-14-19(20(25)23-12-4-1-5-13-23)17-6-2-3-7-18(17)21(24)26/h2-3,6-11,14H,1,4-5,12-13H2