methyl 4-[2-azanyl-6-(3-chlorophenyl)-3-cyano-5-methyl-pyridin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-6-(3-chlorophenyl)-3-cyano-5-methyl-pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-6-(3-chlorophenyl)-3-cyano-5-methyl-4-pyridyl]benzoate CAS Name: 4-[2-amino-6-(3-chlorophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-6-(3-chlorophenyl)-3-cyano-5-methylpyridin-4-yl]benzoate Traditional Name: 4-[2-amino-6-(3-chlorophenyl)-3-cyano-5-methyl-4-pyridyl]benzoic acid methyl ester Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C2=CC=C(C=C2)C(=O)OC)C#N)N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(N=C(C(=C1C2=CC=C(C=C2)C(=O)OC)C#N)N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H16ClN3O2/c1-12-18(13-6-8-14(9-7-13)21(26)27-2)17(11-23)20(24)25-19(12)15-4-3-5-16(22)10-15/h3-10H,1-2H3,(H2,24,25)