2-[1-(azepan-1-yl)-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(azepan-1-yl)-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-1-(1-naphthylmethyl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(1-azepanyl)-3-(1-naphthalenyl)-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(azepan-1-yl)-3-naphthalen-1-yl-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-2-keto-1-(1-naphthylmethyl)ethyl]isoindoline-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=CC3=CC=CC=C32)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC2=CC=CC3=CC=CC=C32)N4C(=O)C5=CC=CC=C5C4=O

InChI

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