ethyl 1-[4-[2-cyanoethyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[2-cyanoethyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[2-cyanoethyl-[2-(2-pyridyl)ethyl]carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[2-cyanoethyl-[2-(2-pyridinyl)ethyl]amino]-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[2-cyanoethyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[2-cyanoethyl-[2-(2-pyridyl)ethyl]carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N(CCC#N)CCC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N(CCC#N)CCC3=CC=CC=N3)C

InChI

InChI=1S/C25H27N5O3/c1-4-33-25(32)23-18(2)28-30(19(23)3)22-11-9-20(10-12-22)24(31)29(16-7-14-26)17-13-21-8-5-6-15-27-21/h5-6,8-12,15H,4,7,13,16-17H2,1-3H3