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

Systemtic Name: methyl 2-[7-[(1H-benzimidazol-2-ylcarbonylamino)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[7-[(1H-benzimidazole-2-carbonylamino)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[[1H-benzimidazol-2-yl(oxo)methyl]hydrazo]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-[(1H-benzimidazole-2-carbonylamino)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[(1H-benzimidazole-2-carbonylamino)carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NNC(=O)C3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)OC

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NNC(=O)C3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)OC

InChI

InChI=1S/C22H22N6O5/c1-28-11-13-9-12(7-8-14(13)23-17(22(28)32)10-18(29)33-2)20(30)26-27-21(31)19-24-15-5-3-4-6-16(15)25-19/h3-9,17,23H,10-11H2,1-2H3,(H,24,25)(H,26,30)(H,27,31)