methyl 9-(3-oxidanylidene-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoate

Systemtic Name: methyl 9-(3-oxidanylidene-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoate Openeye Name: methyl 9-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoate CAS Name: 9-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoic acid methyl ester IUPAC Name: methyl 9-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoate Traditional Name: 9-(3-keto-5,6-diphenyl-1,2,4-triazin-2-yl)pelargonic acid methyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCN1C(=O)N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCCN1C(=O)N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3/c1-31-22(29)18-12-4-2-3-5-13-19-28-25(30)26-23(20-14-8-6-9-15-20)24(27-28)21-16-10-7-11-17-21/h6-11,14-17H,2-5,12-13,18-19H2,1H3