3-(1,3-benzodioxol-5-yl)-4-(4-cyclopentylpiperazin-1-yl)carbonyl-2-propyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(4-cyclopentylpiperazin-1-yl)carbonyl-2-propyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(4-cyclopentylpiperazine-1-carbonyl)-2-propyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[(4-cyclopentyl-1-piperazinyl)-oxomethyl]-2-propyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(4-cyclopentylpiperazine-1-carbonyl)-2-propyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(4-cyclopentylpiperazine-1-carbonyl)-2-propyl-3,4-dihydroisocarbostyril Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCC4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCC4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H35N3O4/c1-2-13-32-27(20-11-12-24-25(18-20)36-19-35-24)26(22-9-5-6-10-23(22)28(32)33)29(34)31-16-14-30(15-17-31)21-7-3-4-8-21/h5-6,9-12,18,21,26-27H,2-4,7-8,13-17,19H2,1H3