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

Systemtic Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(2-methylpropanoylamino)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(2-methylpropanoylamino)phenyl]-1,4-diazepane-1-carboxamide CAS Name: N-cyclohexyl-4-[2-[diethylamino(oxo)methyl]-4-[(2-methyl-1-oxopropyl)amino]phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(2-methylpropanoylamino)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(isobutyrylamino)phenyl]-1,4-diazepane-1-carboxamide Formula: C27H43N5O3 MolecularWeight: 485.66202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N5O3/c1-5-30(6-2)26(34)23-19-22(28-25(33)20(3)4)13-14-24(23)31-15-10-16-32(18-17-31)27(35)29-21-11-8-7-9-12-21/h13-14,19-21H,5-12,15-18H2,1-4H3,(H,28,33)(H,29,35)