4-(4-cyclopentylpiperazin-1-yl)carbonyl-3-(2,3-dimethoxyphenyl)-2-(2-dimethylaminoethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(4-cyclopentylpiperazin-1-yl)carbonyl-3-(2,3-dimethoxyphenyl)-2-(2-dimethylaminoethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-cyclopentylpiperazine-1-carbonyl)-3-(2,3-dimethoxyphenyl)-2-(2-dimethylaminoethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-cyclopentyl-1-piperazinyl)-oxomethyl]-3-(2,3-dimethoxyphenyl)-2-(2-dimethylaminoethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-cyclopentylpiperazine-1-carbonyl)-3-(2,3-dimethoxyphenyl)-2-(2-dimethylaminoethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-cyclopentylpiperazine-1-carbonyl)-3-(2,3-dimethoxyphenyl)-2-(2-dimethylaminoethyl)-3,4-dihydroisocarbostyril Formula: C31H42N4O4 MolecularWeight: 534.68958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCC4)C5=C(C(=CC=C5)OC)OC

Isomeric SMILES

CN(C)CCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4CCCC4)C5=C(C(=CC=C5)OC)OC

InChI

InChI=1S/C31H42N4O4/c1-32(2)16-21-35-28(25-14-9-15-26(38-3)29(25)39-4)27(23-12-7-8-13-24(23)30(35)36)31(37)34-19-17-33(18-20-34)22-10-5-6-11-22/h7-9,12-15,22,27-28H,5-6,10-11,16-21H2,1-4H3