ethyl 5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate

Systemtic Name: ethyl 5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-[(4-chlorophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazine-6-carboxylate CAS Name: 5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate Traditional Name: 5-[(4-chlorobenzyl)amino]-3-(p-tolyl)-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O2/c1-3-27-20(26)17-19(22-12-14-6-10-16(21)11-7-14)23-18(25-24-17)15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,22,23,25)