N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(3-methylbutanoylamino)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(3-methylbutanoylamino)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(3-methylbutanoylamino)phenyl]-1,4-diazepane-1-carboxamide CAS Name: N-cyclohexyl-4-[2-[diethylamino(oxo)methyl]-4-[(3-methyl-1-oxobutyl)amino]phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(3-methylbutanoylamino)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(isovalerylamino)phenyl]-1,4-diazepane-1-carboxamide Formula: C28H45N5O3 MolecularWeight: 499.6886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CC(C)C)N2CCCN(CC2)C(=O)NC3CCCCC3

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CC(C)C)N2CCCN(CC2)C(=O)NC3CCCCC3

InChI

InChI=1S/C28H45N5O3/c1-5-31(6-2)27(35)24-20-23(29-26(34)19-21(3)4)13-14-25(24)32-15-10-16-33(18-17-32)28(36)30-22-11-8-7-9-12-22/h13-14,20-22H,5-12,15-19H2,1-4H3,(H,29,34)(H,30,36)