6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-2-isobutyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-isoquinolinone IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2-isobutyl-6,7-dimethoxy-isocarbostyril Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O4/c1-19(2)17-30-18-24(22-15-25(33-3)26(34-4)16-23(22)27(30)31)28(32)29-12-10-21(11-13-29)14-20-8-6-5-7-9-20/h5-9,15-16,18-19,21H,10-14,17H2,1-4H3