N-(4-tert-butylphenyl)-4-(4-chlorophenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(4-chlorophenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-(4-chlorobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-(4-chlorobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-(4-chlorobenzoyl)-1,4-diazepane-1-carboxamide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O2/c1-23(2,3)18-7-11-20(12-8-18)25-22(29)27-14-4-13-26(15-16-27)21(28)17-5-9-19(24)10-6-17/h5-12H,4,13-16H2,1-3H3,(H,25,29)