6,7-dimethoxy-2-(2-methylpropyl)-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-isobutyl-6,7-dimethoxy-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-isoquinolinone IUPAC Name: 6,7-dimethoxy-2-(2-methylpropyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-isobutyl-6,7-dimethoxy-4-(4-phenylpiperazine-1-carbonyl)isocarbostyril Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4/c1-18(2)16-29-17-22(20-14-23(32-3)24(33-4)15-21(20)25(29)30)26(31)28-12-10-27(11-13-28)19-8-6-5-7-9-19/h5-9,14-15,17-18H,10-13,16H2,1-4H3