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

Systemtic Name: 2,4-bis(chloranyl)-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)-2-methoxy-phenyl]benzamide Openeye Name: 2,4-dichloro-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methoxy-phenyl]benzamide CAS Name: 2,4-dichloro-N-[4-[6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl(oxo)methyl]-2-methoxyphenyl]benzamide IUPAC Name: 2,4-dichloro-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methoxyphenyl]benzamide Traditional Name: 2,4-dichloro-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methoxy-phenyl]benzamide Formula: C27H21Cl2N3O3 MolecularWeight: 506.37994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC3=CC=CN3CC4=CC=CC=C42)NC(=O)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC3=CC=CN3CC4=CC=CC=C42)NC(=O)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H21Cl2N3O3/c1-35-25-13-17(8-11-23(25)30-26(33)21-10-9-19(28)14-22(21)29)27(34)32-16-20-6-4-12-31(20)15-18-5-2-3-7-24(18)32/h2-14H,15-16H2,1H3,(H,30,33)