ethyl 2-[(4-methoxyphenyl)methyl]-5-(2-oxidanylidenepiperazin-1-yl)-4-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxyphenyl)methyl]-5-(2-oxidanylidenepiperazin-1-yl)-4-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-benzyl-2-[(4-methoxyphenyl)methyl]-5-(2-oxopiperazin-1-yl)pyrazole-3-carboxylate CAS Name: 2-[(4-methoxyphenyl)methyl]-5-(2-oxo-1-piperazinyl)-4-(phenylmethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-2-[(4-methoxyphenyl)methyl]-5-(2-oxopiperazin-1-yl)pyrazole-3-carboxylate Traditional Name: 4-benzyl-5-(2-ketopiperazino)-2-p-anisyl-pyrazole-3-carboxylic acid ethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1CC2=CC=C(C=C2)OC)N3CCNCC3=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1CC2=CC=C(C=C2)OC)N3CCNCC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4/c1-3-33-25(31)23-21(15-18-7-5-4-6-8-18)24(28-14-13-26-16-22(28)30)27-29(23)17-19-9-11-20(32-2)12-10-19/h4-12,26H,3,13-17H2,1-2H3