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

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)carbonyl-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 4-(4-cyclohexylpiperazine-1-carbonyl)-2-isobutyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 4-(4-cyclohexylpiperazine-1-carbonyl)-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 4-(4-cyclohexylpiperazine-1-carbonyl)-2-isobutyl-6,7-dimethoxy-isocarbostyril Formula: C26H37N3O4 MolecularWeight: 455.58968

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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)C4CCCCC4

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C26H37N3O4/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/h14-15,17-19H,5-13,16H2,1-4H3