methyl (2S)-2-[(5-methyl-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazin-3-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(5-methyl-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazin-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazin-3-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(6-keto-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(NC(=N1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1C(=O)N(NC(=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-14-20(27)25(16-11-7-4-8-12-16)24-18(22-14)19(26)23-17(21(28)29-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,22,24)(H,23,26)/t14?,17-/m0/s1