N-(2-bromophenyl)-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-anilino-2-oxo-ethyl)-N-(2-bromophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(2-anilino-2-oxoethyl)-N-(2-bromophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-anilino-2-oxoethyl)-N-(2-bromophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-anilino-2-keto-ethyl)-N-(2-bromophenyl)-1,4-diazepane-1-carboxamide Formula: C20H23BrN4O2 MolecularWeight: 431.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Br)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Br)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN4O2/c21-17-9-4-5-10-18(17)23-20(27)25-12-6-11-24(13-14-25)15-19(26)22-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,22,26)(H,23,27)