N-[7-bromanyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-2-(2-cyclopentylethanoylamino)propanamide

Systemtic Name: N-[7-bromanyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-2-(2-cyclopentylethanoylamino)propanamide Openeye Name: N-[7-bromo-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-[(2-cyclopentylacetyl)amino]propanamide CAS Name: N-[7-bromo-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-[(2-cyclopentyl-1-oxoethyl)amino]propanamide IUPAC Name: N-[7-bromo-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-[(2-cyclopentylacetyl)amino]propanamide Traditional Name: N-[7-bromo-5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-2-[(2-cyclopentylacetyl)amino]propionamide Formula: C26H28BrFN4O3 MolecularWeight: 543.427923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F)C)NC(=O)CC4CCCC4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F)C)NC(=O)CC4CCCC4

InChI

InChI=1S/C26H28BrFN4O3/c1-15(29-22(33)13-16-7-3-4-8-16)25(34)31-24-26(35)32(2)21-12-11-17(27)14-19(21)23(30-24)18-9-5-6-10-20(18)28/h5-6,9-12,14-16,24H,3-4,7-8,13H2,1-2H3,(H,29,33)(H,31,34)