4-[(3S)-3-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)isoindole-1,3-dione

Systemtic Name: 4-[(3S)-3-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)isoindole-1,3-dione Openeye Name: 4-[(3S)-3-(azepane-1-carbonyl)-1-piperidyl]-2-(3,4-dimethoxyphenyl)isoindoline-1,3-dione CAS Name: 4-[(3S)-3-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(3,4-dimethoxyphenyl)isoindole-1,3-dione IUPAC Name: 4-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)isoindole-1,3-dione Traditional Name: 4-[(3S)-3-(azepane-1-carbonyl)piperidino]-2-(3,4-dimethoxyphenyl)isoindoline-1,3-quinone Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCCC(C4)C(=O)N5CCCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC[C@@H](C4)C(=O)N5CCCCCC5)OC

InChI

InChI=1S/C28H33N3O5/c1-35-23-13-12-20(17-24(23)36-2)31-27(33)21-10-7-11-22(25(21)28(31)34)30-16-8-9-19(18-30)26(32)29-14-5-3-4-6-15-29/h7,10-13,17,19H,3-6,8-9,14-16,18H2,1-2H3/t19-/m0/s1