2-(2,4-dichlorophenyl)-3-oxidanylidene-1-(phenylmethyl)-N-piperazin-1-yl-pyrazole-4-carboxamide

Systemtic Name: 2-(2,4-dichlorophenyl)-3-oxidanylidene-1-(phenylmethyl)-N-piperazin-1-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-2-(2,4-dichlorophenyl)-3-oxo-N-piperazin-1-yl-pyrazole-4-carboxamide CAS Name: 2-(2,4-dichlorophenyl)-3-oxo-1-(phenylmethyl)-N-(1-piperazinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-2-(2,4-dichlorophenyl)-3-oxo-N-piperazin-1-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-2-(2,4-dichlorophenyl)-3-keto-N-piperazino-3-pyrazoline-4-carboxamide Formula: C21H21Cl2N5O2 MolecularWeight: 446.32974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)NC(=O)C2=CN(N(C2=O)C3=C(C=C(C=C3)Cl)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)NC(=O)C2=CN(N(C2=O)C3=C(C=C(C=C3)Cl)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H21Cl2N5O2/c22-16-6-7-19(18(23)12-16)28-21(30)17(20(29)25-26-10-8-24-9-11-26)14-27(28)13-15-4-2-1-3-5-15/h1-7,12,14,24H,8-11,13H2,(H,25,29)