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

Systemtic Name: 2-ethyl-6,7-dimethoxy-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-2-ethyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 2-ethyl-6,7-dimethoxy-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-isoquinolinone IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-2-ethyl-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2-ethyl-6,7-dimethoxy-isocarbostyril Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4/c1-4-27-17-22(20-15-23(31-2)24(32-3)16-21(20)25(27)29)26(30)28-12-10-19(11-13-28)14-18-8-6-5-7-9-18/h5-9,15-17,19H,4,10-14H2,1-3H3