2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-(azepan-1-yl)-3-oxo-propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3-(1-azepanyl)-3-oxopropyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-(azepan-1-yl)-3-oxopropyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-(azepan-1-yl)-3-keto-propyl]-4H-isoquinoline-1,3-quinone Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

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