4-(4-cyclopentylpiperazin-1-yl)carbonyl-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(4-cyclopentylpiperazin-1-yl)carbonyl-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-cyclopentylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-cyclopentyl-1-piperazinyl)-oxomethyl]-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-cyclopentylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-cyclopentylpiperazine-1-carbonyl)-2-(2-methoxyethyl)-3-phenyl-3,4-dihydroisocarbostyril Formula: C28H35N3O3 MolecularWeight: 461.5958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCC4)C5=CC=CC=C5

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H35N3O3/c1-34-20-19-31-26(21-9-3-2-4-10-21)25(23-13-7-8-14-24(23)27(31)32)28(33)30-17-15-29(16-18-30)22-11-5-6-12-22/h2-4,7-10,13-14,22,25-26H,5-6,11-12,15-20H2,1H3