N-[4-(3-methylbutanoylamino)phenyl]-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide Openeye Name: 1-(4-methylbenzoyl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-3-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-[(4-methylphenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-methylbenzoyl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-3-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-p-toluoyl-nipecotamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C25H31N3O3/c1-17(2)15-23(29)26-21-10-12-22(13-11-21)27-24(30)20-5-4-14-28(16-20)25(31)19-8-6-18(3)7-9-19/h6-13,17,20H,4-5,14-16H2,1-3H3,(H,26,29)(H,27,30)