3-(2-methoxyphenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(2-methoxyphenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(2-methoxyphenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2-methoxyphenyl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2-methoxyphenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C28H27N5O3 MolecularWeight: 481.54568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O3/c1-36-25-10-6-5-9-23(25)27-24(18-33(31-27)22-7-3-2-4-8-22)28(35)30-17-20-11-13-21(14-12-20)32-16-15-29-26(34)19-32/h2-14,18H,15-17,19H2,1H3,(H,29,34)(H,30,35)