N-[(3-cyano-4-phenyl-phenyl)methyl]-1-(pentanoylamino)cyclohexane-1-carboxamide

Systemtic Name: N-[(3-cyano-4-phenyl-phenyl)methyl]-1-(pentanoylamino)cyclohexane-1-carboxamide Openeye Name: N-[(3-cyano-4-phenyl-phenyl)methyl]-1-(pentanoylamino)cyclohexanecarboxamide CAS Name: N-[(3-cyano-4-phenylphenyl)methyl]-1-(1-oxopentylamino)-1-cyclohexanecarboxamide IUPAC Name: N-[(3-cyano-4-phenylphenyl)methyl]-1-(pentanoylamino)cyclohexane-1-carboxamide Traditional Name: N-(3-cyano-4-phenyl-benzyl)-1-(valerylamino)cyclohexanecarboxamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1(CCCCC1)C(=O)NCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC(=O)NC1(CCCCC1)C(=O)NCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H31N3O2/c1-2-3-12-24(30)29-26(15-8-5-9-16-26)25(31)28-19-20-13-14-23(22(17-20)18-27)21-10-6-4-7-11-21/h4,6-7,10-11,13-14,17H,2-3,5,8-9,12,15-16,19H2,1H3,(H,28,31)(H,29,30)