2-[2-[5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CN4C

Isomeric SMILES

CC1CCC(N(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CN4C

InChI

InChI=1S/C22H25N3O3/c1-15-9-10-19(18-8-5-12-23(18)2)24(13-11-15)20(26)14-25-21(27)16-6-3-4-7-17(16)22(25)28/h3-8,12,15,19H,9-11,13-14H2,1-2H3