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

Systemtic Name: methyl 2-[7-(1H-benzimidazol-2-ylcarbamoyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[7-(1H-benzimidazol-2-ylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[(1H-benzimidazol-2-ylamino)-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-ylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-(1H-benzimidazol-2-ylcarbamoyl)-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)OC

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)OC

InChI

InChI=1S/C21H21N5O4/c1-26-11-13-9-12(7-8-14(13)22-17(20(26)29)10-18(27)30-2)19(28)25-21-23-15-5-3-4-6-16(15)24-21/h3-9,17,22H,10-11H2,1-2H3,(H2,23,24,25,28)