N-[4-(3-methylbutanoylamino)phenyl]-1-naphthalen-1-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-naphthalen-1-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-[1-naphthalenyl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-(1-naphthoyl)isonipecotamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H31N3O3/c1-19(2)18-26(32)29-22-10-12-23(13-11-22)30-27(33)21-14-16-31(17-15-21)28(34)25-9-5-7-20-6-3-4-8-24(20)25/h3-13,19,21H,14-18H2,1-2H3,(H,29,32)(H,30,33)