3-oxidanylidene-2-(phenylmethyl)-N-[3-(2-propan-2-ylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide

Systemtic Name: 3-oxidanylidene-2-(phenylmethyl)-N-[3-(2-propan-2-ylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide Openeye Name: 2-benzyl-N-[3-(2-isopropyl-1-piperidyl)propyl]-3-oxo-isoindoline-5-carboxamide CAS Name: 3-oxo-2-(phenylmethyl)-N-[3-(2-propan-2-yl-1-piperidinyl)propyl]-1H-isoindole-5-carboxamide IUPAC Name: 2-benzyl-3-oxo-N-[3-(2-propan-2-ylpiperidin-1-yl)propyl]-1H-isoindole-5-carboxamide Traditional Name: 2-benzyl-N-[3-(2-isopropylpiperidino)propyl]-3-keto-isoindoline-5-carboxamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)C1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C27H35N3O2/c1-20(2)25-11-6-7-15-29(25)16-8-14-28-26(31)22-12-13-23-19-30(27(32)24(23)17-22)18-21-9-4-3-5-10-21/h3-5,9-10,12-13,17,20,25H,6-8,11,14-16,18-19H2,1-2H3,(H,28,31)