3-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one Openeye Name: 3-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(1-methyl-3-phenyl-propyl)isoindolin-1-one CAS Name: 3-[4-[(4-ethyl-1-piperazinyl)-oxomethyl]anilino]-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one IUPAC Name: 3-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one Traditional Name: 3-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(1-methyl-3-phenyl-propyl)isoindolin-1-one Formula: C31H36N4O2 MolecularWeight: 496.64314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C(C)CCC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C(C)CCC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2/c1-3-33-19-21-34(22-20-33)30(36)25-15-17-26(18-16-25)32-29-27-11-7-8-12-28(27)31(37)35(29)23(2)13-14-24-9-5-4-6-10-24/h4-12,15-18,23,29,32H,3,13-14,19-22H2,1-2H3