ethyl 5-cyano-2-methyl-6-[4-[(1-phenyl-1,2,3-triazol-4-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[4-[(1-phenyl-1,2,3-triazol-4-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[(1-phenyl-4-triazolyl)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[4-[(1-phenyltriazol-4-yl)methyl]piperazino]nicotinic acid ethyl ester Formula: C23H25N7O2 MolecularWeight: 431.4903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)CC3=CN(N=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)CC3=CN(N=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N7O2/c1-3-32-23(31)21-13-18(14-24)22(25-17(21)2)29-11-9-28(10-12-29)15-19-16-30(27-26-19)20-7-5-4-6-8-20/h4-8,13,16H,3,9-12,15H2,1-2H3