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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CCCC1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=CC=C4)C=C2

InChI

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