2-bromanyl-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)phenyl]benzamide

Systemtic Name: 2-bromanyl-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)phenyl]benzamide Openeye Name: 2-bromo-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]benzamide CAS Name: 2-bromo-N-[4-[6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl(oxo)methyl]phenyl]benzamide IUPAC Name: 2-bromo-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]benzamide Traditional Name: 2-bromo-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]benzamide Formula: C26H20BrN3O2 MolecularWeight: 486.3599

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Br

Isomeric SMILES

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C26H20BrN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)