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

Systemtic Name: methyl 2-[7-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[7-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[2-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)OC

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)OC

InChI

InChI=1S/C23H25N5O4/c1-28-13-15-11-14(7-8-16(15)25-19(23(28)31)12-21(29)32-2)22(30)24-10-9-20-26-17-5-3-4-6-18(17)27-20/h3-8,11,19,25H,9-10,12-13H2,1-2H3,(H,24,30)(H,26,27)