6-methoxy-2-methyl-4-phenyl-3-[1-(phenylcarbonyl)piperidin-3-yl]isoquinolin-1-one

Systemtic Name: 6-methoxy-2-methyl-4-phenyl-3-[1-(phenylcarbonyl)piperidin-3-yl]isoquinolin-1-one Openeye Name: 3-(1-benzoyl-3-piperidyl)-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 3-(1-benzoyl-3-piperidinyl)-6-methoxy-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-(1-benzoylpiperidin-3-yl)-6-methoxy-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 3-(1-benzoyl-3-piperidyl)-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C4CCCN(C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C4CCCN(C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3/c1-30-27(22-14-9-17-31(19-22)28(32)21-12-7-4-8-13-21)26(20-10-5-3-6-11-20)25-18-23(34-2)15-16-24(25)29(30)33/h3-8,10-13,15-16,18,22H,9,14,17,19H2,1-2H3