2-[7-[2-[(6-methylpyridazin-3-yl)amino]ethylcarbamoyl]-3-oxidanylidene-1,2-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-[2-[(6-methylpyridazin-3-yl)amino]ethylcarbamoyl]-3-oxidanylidene-1,2-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-[2-[(6-methylpyridazin-3-yl)amino]ethylcarbamoyl]-3-oxo-1,2-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[2-[(6-methyl-3-pyridazinyl)amino]ethylamino]-oxomethyl]-3-oxo-1,2-dihydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-[2-[(6-methylpyridazin-3-yl)amino]ethylcarbamoyl]-3-oxo-1,2-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-keto-7-[2-[(6-methylpyridazin-3-yl)amino]ethylcarbamoyl]-1,2-dihydro-1,4-benzodiazepin-2-yl]acetate Formula: C19H19N6O4- MolecularWeight: 395.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1)NCCNC(=O)C2=CC3=C(C=C2)NC(C(=O)N=C3)CC(=O)[O-]

Isomeric SMILES

CC1=NN=C(C=C1)NCCNC(=O)C2=CC3=C(C=C2)NC(C(=O)N=C3)CC(=O)[O-]

InChI

InChI=1S/C19H20N6O4/c1-11-2-5-16(25-24-11)20-6-7-21-18(28)12-3-4-14-13(8-12)10-22-19(29)15(23-14)9-17(26)27/h2-5,8,10,15,23H,6-7,9H2,1H3,(H,20,25)(H,21,28)(H,26,27)/p-1