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

Systemtic Name: N-[3-(2-butylpiperidin-1-yl)propyl]-3-oxidanylidene-2-(phenylmethyl)-1H-isoindole-5-carboxamide Openeye Name: 2-benzyl-N-[3-(2-butyl-1-piperidyl)propyl]-3-oxo-isoindoline-5-carboxamide CAS Name: N-[3-(2-butyl-1-piperidinyl)propyl]-3-oxo-2-(phenylmethyl)-1H-isoindole-5-carboxamide IUPAC Name: 2-benzyl-N-[3-(2-butylpiperidin-1-yl)propyl]-3-oxo-1H-isoindole-5-carboxamide Traditional Name: 2-benzyl-N-[3-(2-butylpiperidino)propyl]-3-keto-isoindoline-5-carboxamide Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CCCCC1CCCCN1CCCNC(=O)C2=CC3=C(CN(C3=O)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H37N3O2/c1-2-3-12-25-13-7-8-17-30(25)18-9-16-29-27(32)23-14-15-24-21-31(28(33)26(24)19-23)20-22-10-5-4-6-11-22/h4-6,10-11,14-15,19,25H,2-3,7-9,12-13,16-18,20-21H2,1H3,(H,29,32)