4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[(E)-3-(4-bromophenyl)acryloyl]-N-phenyl-1,4-diazepane-1-carboxamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c22-18-10-7-17(8-11-18)9-12-20(26)24-13-4-14-25(16-15-24)21(27)23-19-5-2-1-3-6-19/h1-3,5-12H,4,13-16H2,(H,23,27)/b12-9+