methyl 3-[1-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(4-cyanoanilino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C#N)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C#N)C)CCC(=O)OC

InChI

InChI=1S/C23H22N4O3/c1-15-21(12-13-22(28)30-3)16(2)27(26-15)20-10-6-18(7-11-20)23(29)25-19-8-4-17(14-24)5-9-19/h4-11H,12-13H2,1-3H3,(H,25,29)