[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 4-pyrazol-1-ylbenzoate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C20H16ClN7O2 MolecularWeight: 421.83974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C20H16ClN7O2/c21-14-4-6-15(7-5-14)24-20-26-17(25-19(22)27-20)12-30-18(29)13-2-8-16(9-3-13)28-11-1-10-23-28/h1-11H,12H2,(H3,22,24,25,26,27)