2-(4-chlorophenyl)-N-morpholin-4-yl-3-oxidanylidene-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-morpholin-4-yl-3-oxidanylidene-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-2-(4-chlorophenyl)-N-morpholino-3-oxo-pyrazole-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-(4-morpholinyl)-3-oxo-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-2-(4-chlorophenyl)-N-morpholin-4-yl-3-oxopyrazole-4-carboxamide Traditional Name: 1-benzyl-2-(4-chlorophenyl)-3-keto-N-morpholino-3-pyrazoline-4-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=O)C2=CN(N(C2=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1NC(=O)C2=CN(N(C2=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O3/c22-17-6-8-18(9-7-17)26-21(28)19(20(27)23-24-10-12-29-13-11-24)15-25(26)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,23,27)