[[4-(2-cyanophenyl)phenyl]methylamino] 5-butanoyl-1-ethyl-2-methyl-3H-pyrazole-4-carboxylate

Systemtic Name: [[4-(2-cyanophenyl)phenyl]methylamino] 5-butanoyl-1-ethyl-2-methyl-3H-pyrazole-4-carboxylate Openeye Name: [[4-(2-cyanophenyl)phenyl]methylamino] 5-butanoyl-1-ethyl-2-methyl-3H-pyrazole-4-carboxylate CAS Name: 1-ethyl-2-methyl-5-(1-oxobutyl)-3H-pyrazole-4-carboxylic acid [[4-(2-cyanophenyl)phenyl]methylamino] ester IUPAC Name: [[4-(2-cyanophenyl)phenyl]methylamino] 5-butanoyl-1-ethyl-2-methyl-3H-pyrazole-4-carboxylate Traditional Name: 3-butyryl-2-ethyl-1-methyl-3-pyrazoline-4-carboxylic acid [[4-(2-cyanophenyl)benzyl]amino] ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CN(N1CC)C)C(=O)ONCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC(=O)C1=C(CN(N1CC)C)C(=O)ONCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H28N4O3/c1-4-8-23(30)24-22(17-28(3)29(24)5-2)25(31)32-27-16-18-11-13-19(14-12-18)21-10-7-6-9-20(21)15-26/h6-7,9-14,27H,4-5,8,16-17H2,1-3H3