2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,4-dimethyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,4-dimethyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,4-dimethyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-1,4-dimethyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,4-dimethyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-keto-1,4-dimethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Formula: C22H22N5O4- MolecularWeight: 420.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)N(C(C1=O)CC(=O)[O-])C

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)N(C(C1=O)CC(=O)[O-])C

InChI

InChI=1S/C22H23N5O4/c1-26-12-14-9-13(7-8-17(14)27(2)18(22(26)31)10-20(28)29)21(30)23-11-19-24-15-5-3-4-6-16(15)25-19/h3-9,18H,10-12H2,1-2H3,(H,23,30)(H,24,25)(H,28,29)/p-1