N-[2-[(E)-2-bromanylprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[2-[(E)-2-bromanylprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]benzamide CAS Name: 4-benzoyl-N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]benzamide IUPAC Name: 4-benzoyl-N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]benzamide Traditional Name: 4-benzoyl-N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]benzamide Formula: C28H22BrN3O2 MolecularWeight: 512.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1CC2=CC=CC=C2C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)N=C1C=C)Br

Isomeric SMILES

C/C(=C\N1CC2=CC=CC=C2C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)N=C1C=C)/Br

InChI

InChI=1S/C28H22BrN3O2/c1-3-25-30-27(24-12-8-7-11-23(24)18-32(25)17-19(2)29)31-28(34)22-15-13-21(14-16-22)26(33)20-9-5-4-6-10-20/h3-17H,1,18H2,2H3/b19-17+,31-27?