N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(propanoylamino)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(propanoylamino)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(propanoylamino)phenyl]-1,4-diazepane-1-carboxamide CAS Name: N-cyclohexyl-4-[2-[diethylamino(oxo)methyl]-4-(1-oxopropylamino)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(propanoylamino)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-propionamido-phenyl]-1,4-diazepane-1-carboxamide Formula: C26H41N5O3 MolecularWeight: 471.63544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3CCCCC3)C(=O)N(CC)CC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCCN(CC2)C(=O)NC3CCCCC3)C(=O)N(CC)CC

InChI

InChI=1S/C26H41N5O3/c1-4-24(32)27-21-13-14-23(22(19-21)25(33)29(5-2)6-3)30-15-10-16-31(18-17-30)26(34)28-20-11-8-7-9-12-20/h13-14,19-20H,4-12,15-18H2,1-3H3,(H,27,32)(H,28,34)