2-[2-(4-bromophenyl)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: 2-[2-(4-bromophenyl)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-[[2-(4-bromophenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-[[2-(4-bromophenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[[2-(4-bromophenyl)acetyl]amino]-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C27H25BrN4O3 MolecularWeight: 533.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H25BrN4O3/c1-17(29-23(33)16-18-12-14-20(28)15-13-18)26(34)31-25-27(35)32(2)22-11-7-6-10-21(22)24(30-25)19-8-4-3-5-9-19/h3-15,17,25H,16H2,1-2H3,(H,29,33)(H,31,34)