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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-4H-isoquinoline-1,3-quinone Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N2O3/c20-15-11-13-7-3-4-8-14(13)17(22)19(15)12-16(21)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-12H2