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

Systemtic Name: ethyl 2-[(5S)-6-oxidanylidene-3-phenyl-5-(phenylmethyl)-2,5-dihydro-1,2,4-triazin-1-yl]propanoate Openeye Name: ethyl 2-[(5S)-5-benzyl-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]propanoate CAS Name: 2-[(5S)-6-oxo-3-phenyl-5-(phenylmethyl)-2,5-dihydro-1,2,4-triazin-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5S)-5-benzyl-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]propanoate Traditional Name: 2-[(5S)-5-benzyl-6-keto-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]propionic acid ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C(=O)C(N=C(N1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)N1C(=O)[C@@H](N=C(N1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-3-27-21(26)15(2)24-20(25)18(14-16-10-6-4-7-11-16)22-19(23-24)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3,(H,22,23)/t15?,18-/m0/s1