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

Systemtic Name: ethyl 1-[4-[2-cyanoethyl-(phenylmethyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[benzyl(2-cyanoethyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[benzyl(2-cyanoethyl)carbamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[benzyl(2-cyanoethyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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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)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N(CCC#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H26N4O3/c1-4-32-25(31)23-18(2)27-29(19(23)3)22-13-11-21(12-14-22)24(30)28(16-8-15-26)17-20-9-6-5-7-10-20/h5-7,9-14H,4,8,16-17H2,1-3H3