N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(pentanoylamino)cyclohexane-1-carboxamide

Systemtic Name: N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(pentanoylamino)cyclohexane-1-carboxamide Openeye Name: N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(pentanoylamino)cyclohexanecarboxamide CAS Name: N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(1-oxopentylamino)-1-cyclohexanecarboxamide IUPAC Name: N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(pentanoylamino)cyclohexane-1-carboxamide Traditional Name: N-[4-(2-cyanophenyl)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=C3C#N

Isomeric SMILES

CCCCC(=O)NC1(CCCCC1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C26H31N3O2/c1-2-3-11-24(30)29-26(16-7-4-8-17-26)25(31)28-19-20-12-14-21(15-13-20)23-10-6-5-9-22(23)18-27/h5-6,9-10,12-15H,2-4,7-8,11,16-17,19H2,1H3,(H,28,31)(H,29,30)