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

Systemtic Name: 3-(3-methoxyphenyl)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(3-methoxyphenyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-[4-(3-oxo-1-piperazinyl)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3-methoxyphenyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)phenyl]-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3/c1-35-23-9-5-6-19(16-23)26-24(17-32(30-26)22-7-3-2-4-8-22)27(34)29-20-10-12-21(13-11-20)31-15-14-28-25(33)18-31/h2-13,16-17H,14-15,18H2,1H3,(H,28,33)(H,29,34)