2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-butyl]isoindolin-1-one CAS Name: 2-[1-[4-(4-methoxyphenyl)-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-butyl]isoindolin-1-one Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H31N3O3/c1-18(2)16-23(28-17-19-6-4-5-7-22(19)24(28)29)25(30)27-14-12-26(13-15-27)20-8-10-21(31-3)11-9-20/h4-11,18,23H,12-17H2,1-3H3