N-(2-morpholin-4-ylethyl)-4-[[3-oxidanylidene-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]benzamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-4-[[3-oxidanylidene-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]benzamide Openeye Name: 4-[[2-(1-methyl-3-phenyl-propyl)-3-oxo-isoindolin-1-yl]amino]-N-(2-morpholinoethyl)benzamide CAS Name: N-[2-(4-morpholinyl)ethyl]-4-[[3-oxo-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]benzamide IUPAC Name: N-(2-morpholin-4-ylethyl)-4-[[3-oxo-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]benzamide Traditional Name: 4-[[3-keto-2-(1-methyl-3-phenyl-propyl)isoindolin-1-yl]amino]-N-(2-morpholinoethyl)benzamide Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)NCCN5CCOCC5

Isomeric SMILES

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C31H36N4O3/c1-23(11-12-24-7-3-2-4-8-24)35-29(27-9-5-6-10-28(27)31(35)37)33-26-15-13-25(14-16-26)30(36)32-17-18-34-19-21-38-22-20-34/h2-10,13-16,23,29,33H,11-12,17-22H2,1H3,(H,32,36)