(phenylmethyl) 2-[5-(2-methylpropyl)-6-oxidanylidene-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[5-(2-methylpropyl)-6-oxidanylidene-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]ethanoate Openeye Name: benzyl 2-(5-isobutyl-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)acetate CAS Name: 2-[5-(2-methylpropyl)-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(2-methylpropyl)-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]acetate Traditional Name: 2-(5-isobutyl-6-keto-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)acetic acid benzyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(NC(=N1)C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1C(=O)N(NC(=N1)C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-16(2)13-19-22(27)25(24-21(23-19)18-11-7-4-8-12-18)14-20(26)28-15-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3,(H,23,24)