2-[1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-1-benzyl-2-oxo-ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[1-(1-azepanyl)-1-oxo-3-phenylpropan-2-yl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-1-benzyl-2-keto-ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H26N2O3/c30-25-21-14-8-12-20-13-9-15-22(24(20)21)26(31)29(25)23(18-19-10-4-3-5-11-19)27(32)28-16-6-1-2-7-17-28/h3-5,8-15,23H,1-2,6-7,16-18H2