4-[2,3-bis(chloranyl)phenyl]carbonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-(2,3-dichlorobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(2,3-dichlorophenyl)-oxomethyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-(2,3-dichlorobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-(2,3-dichlorobenzoyl)-1,4-diazepane-1-carboxamide Formula: C20H21Cl2N3O2 MolecularWeight: 406.30564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O2/c21-17-9-4-8-16(18(17)22)19(26)24-10-5-11-25(13-12-24)20(27)23-14-15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2,(H,23,27)