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

Systemtic Name: (phenylmethyl) 2-[6-oxidanylidene-3-phenyl-5-(phenylmethyl)-2,5-dihydro-1,2,4-triazin-1-yl]ethanoate Openeye Name: benzyl 2-(5-benzyl-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)acetate CAS Name: 2-[6-oxo-3-phenyl-5-(phenylmethyl)-2,5-dihydro-1,2,4-triazin-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-benzyl-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)acetate Traditional Name: 2-(5-benzyl-6-keto-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)acetic acid benzyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)N(NC(=N2)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)N(NC(=N2)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3/c29-23(31-18-20-12-6-2-7-13-20)17-28-25(30)22(16-19-10-4-1-5-11-19)26-24(27-28)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,26,27)