3-ethyl-4-[(4-fluorophenyl)amino]-2-methyl-5-(phenylmethyl)-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 3-ethyl-4-[(4-fluorophenyl)amino]-2-methyl-5-(phenylmethyl)-3-piperidin-4-yl-isoindol-1-one Openeye Name: 5-benzyl-3-ethyl-4-(4-fluoroanilino)-2-methyl-3-(4-piperidyl)isoindolin-1-one CAS Name: 3-ethyl-4-(4-fluoroanilino)-2-methyl-5-(phenylmethyl)-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 5-benzyl-3-ethyl-4-(4-fluoroanilino)-2-methyl-3-piperidin-4-ylisoindol-1-one Traditional Name: 5-benzyl-3-ethyl-4-(4-fluoroanilino)-2-methyl-3-(4-piperidyl)isoindolin-1-one Formula: C29H32FN3O MolecularWeight: 457.582283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2NC3=CC=C(C=C3)F)CC4=CC=CC=C4)C(=O)N1C)C5CCNCC5

Isomeric SMILES

CCC1(C2=C(C=CC(=C2NC3=CC=C(C=C3)F)CC4=CC=CC=C4)C(=O)N1C)C5CCNCC5

InChI

InChI=1S/C29H32FN3O/c1-3-29(22-15-17-31-18-16-22)26-25(28(34)33(29)2)14-9-21(19-20-7-5-4-6-8-20)27(26)32-24-12-10-23(30)11-13-24/h4-14,22,31-32H,3,15-19H2,1-2H3