2-(4-ethoxyphenyl)-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(4-ethoxyphenyl)-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-(4-ethoxyphenyl)-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-5-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(4-ethoxyphenyl)-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]isoindole-1,3-dione Traditional Name: 5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-p-phenetyl-isoindoline-1,3-quinone Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCCCC4C5=CC=CN5C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCCCC4C5=CC=CN5C

InChI

InChI=1S/C28H29N3O4/c1-3-35-21-13-11-20(12-14-21)31-27(33)22-15-10-19(18-23(22)28(31)34)26(32)30-17-6-4-5-8-25(30)24-9-7-16-29(24)2/h7,9-16,18,25H,3-6,8,17H2,1-2H3