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

Systemtic Name: methyl 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)OC

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)OC

InChI

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