N-(2-bromophenyl)-4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-bromophenyl)-4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1,4-diazepane-1-carboxamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C22H27BrN4O2/c1-16-7-5-8-17(2)21(16)25-20(28)15-26-11-6-12-27(14-13-26)22(29)24-19-10-4-3-9-18(19)23/h3-5,7-10H,6,11-15H2,1-2H3,(H,24,29)(H,25,28)