2-[4-(azepan-1-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(azepan-1-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(azepan-1-yl)-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-(1-azepanyl)-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(azepan-1-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-(azepan-1-yl)-4-keto-butyl]isoindoline-1,3-quinone Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H22N2O3/c21-16(19-11-5-1-2-6-12-19)10-7-13-20-17(22)14-8-3-4-9-15(14)18(20)23/h3-4,8-9H,1-2,5-7,10-13H2