4-[4-(cyclopentylmethyl)piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-(cyclopentylmethyl)piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-(cyclopentylmethyl)piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-(cyclopentylmethyl)-1-piperazinyl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(cyclopentylmethyl)piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(cyclopentylmethyl)piperazino]-2-veratryl-isoindoline-1,3-quinone Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5CCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5CCCC5)OC

InChI

InChI=1S/C27H33N3O4/c1-33-23-11-10-20(16-24(23)34-2)18-30-26(31)21-8-5-9-22(25(21)27(30)32)29-14-12-28(13-15-29)17-19-6-3-4-7-19/h5,8-11,16,19H,3-4,6-7,12-15,17-18H2,1-2H3