N-[4-(3-methylbutanoylamino)phenyl]-1-(2-phenylethanoyl)piperidine-3-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2-phenylethanoyl)piperidine-3-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-(1-oxo-2-phenylethyl)-3-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-(2-phenylacetyl)nipecotamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-18(2)15-23(29)26-21-10-12-22(13-11-21)27-25(31)20-9-6-14-28(17-20)24(30)16-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,20H,6,9,14-17H2,1-2H3,(H,26,29)(H,27,31)