2-[4-(phenylmethyl)piperidin-1-yl]-N-propan-2-yl-5-(3,5,5-trimethylhexanoylamino)benzamide

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-yl]-N-propan-2-yl-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-isopropyl-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: 2-[4-(phenylmethyl)-1-piperidinyl]-N-propan-2-yl-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-propan-2-yl-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: 2-(4-benzylpiperidino)-N-isopropyl-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C31H45N3O2 MolecularWeight: 491.7079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)CC(C)(C)C)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)CC(C)(C)C)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C31H45N3O2/c1-22(2)32-30(36)27-20-26(33-29(35)18-23(3)21-31(4,5)6)12-13-28(27)34-16-14-25(15-17-34)19-24-10-8-7-9-11-24/h7-13,20,22-23,25H,14-19,21H2,1-6H3,(H,32,36)(H,33,35)