5-(3,3-dimethylbutanoylamino)-2-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-2-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-(3,3-dimethylbutanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-(3,3-dimethylbutanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-(3,3-dimethylbutanoylamino)-N-(3-pyridylmethyl)benzamide Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C31H38N4O2/c1-31(2,3)20-29(36)34-26-11-12-28(27(19-26)30(37)33-22-25-10-7-15-32-21-25)35-16-13-24(14-17-35)18-23-8-5-4-6-9-23/h4-12,15,19,21,24H,13-14,16-18,20,22H2,1-3H3,(H,33,37)(H,34,36)