4-[4-(2-methylpropanoyl)piperazin-1-yl]-2-(naphthalen-1-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]-2-(naphthalen-1-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]-2-(1-naphthylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-2-(1-naphthalenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]-2-(naphthalen-1-ylmethyl)isoindole-1,3-dione Traditional Name: 4-(4-isobutyrylpiperazino)-2-(1-naphthylmethyl)isoindoline-1,3-quinone Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H27N3O3/c1-18(2)25(31)29-15-13-28(14-16-29)23-12-6-11-22-24(23)27(33)30(26(22)32)17-20-9-5-8-19-7-3-4-10-21(19)20/h3-12,18H,13-17H2,1-2H3