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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-naphthalen-1-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-[1-naphthalenyl(oxo)methyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-(1-naphthoyl)nipecotamide 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)C2CCCN(C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

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