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

Systemtic Name: 2-[7-[[1-(1H-benzimidazol-2-yl)-2-oxidanyl-ethyl]carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-[[1-(1H-benzimidazol-2-yl)-2-hydroxy-ethyl]carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[[1-(1H-benzimidazol-2-yl)-2-hydroxyethyl]amino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-[[1-(1H-benzimidazol-2-yl)-2-hydroxyethyl]carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[[1-(1H-benzimidazol-2-yl)-2-hydroxy-ethyl]carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C22H22N5O5- MolecularWeight: 436.44058

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NC(CO)C3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)[O-]

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NC(CO)C3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-27-10-13-8-12(6-7-14(13)23-17(22(27)32)9-19(29)30)21(31)26-18(11-28)20-24-15-4-2-3-5-16(15)25-20/h2-8,17-18,23,28H,9-11H2,1H3,(H,24,25)(H,26,31)(H,29,30)/p-1