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

Systemtic Name: N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(hexanoylamino)cyclohexane-1-carboxamide Openeye Name: N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(hexanoylamino)cyclohexanecarboxamide CAS Name: N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(1-oxohexylamino)-1-cyclohexanecarboxamide IUPAC Name: N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(hexanoylamino)cyclohexane-1-carboxamide Traditional Name: 1-(caproylamino)-N-[4-(2-cyanophenyl)benzyl]cyclohexanecarboxamide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2/c1-2-3-5-12-25(31)30-27(17-8-4-9-18-27)26(32)29-20-21-13-15-22(16-14-21)24-11-7-6-10-23(24)19-28/h6-7,10-11,13-16H,2-5,8-9,12,17-18,20H2,1H3,(H,29,32)(H,30,31)