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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-(2-methyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide Traditional Name: 1-isobutyryl-N-[4-(isovalerylamino)phenyl]isonipecotamide Formula: C21H31N3O3 MolecularWeight: 373.48914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C21H31N3O3/c1-14(2)13-19(25)22-17-5-7-18(8-6-17)23-20(26)16-9-11-24(12-10-16)21(27)15(3)4/h5-8,14-16H,9-13H2,1-4H3,(H,22,25)(H,23,26)