4-(3-chlorophenyl)carbonyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-chlorophenyl)carbonyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-chlorobenzoyl)-N-(4-isopropylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-chlorobenzoyl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-chlorobenzoyl)-N-p-cumenyl-1,4-diazepane-1-carboxamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2/c1-16(2)17-7-9-20(10-8-17)24-22(28)26-12-4-11-25(13-14-26)21(27)18-5-3-6-19(23)15-18/h3,5-10,15-16H,4,11-14H2,1-2H3,(H,24,28)