methyl 4-[(5-naphthalen-2-yl-1,2,4-triazin-3-yl)amino]butanoate

Systemtic Name: methyl 4-[(5-naphthalen-2-yl-1,2,4-triazin-3-yl)amino]butanoate Openeye Name: methyl 4-[[5-(2-naphthyl)-1,2,4-triazin-3-yl]amino]butanoate CAS Name: 4-[[5-(2-naphthalenyl)-1,2,4-triazin-3-yl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-naphthalen-2-yl-1,2,4-triazin-3-yl)amino]butanoate Traditional Name: 4-[[5-(2-naphthyl)-1,2,4-triazin-3-yl]amino]butyric acid methyl ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=NC(=CN=N1)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CCCNC1=NC(=CN=N1)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H18N4O2/c1-24-17(23)7-4-10-19-18-21-16(12-20-22-18)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,19,21,22)