3-(4-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(4-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazole-4-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(4-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(4-chlorophenyl)-N-[2-(cyclopropylamino)-2-keto-ethyl]pyrazole-4-carboxamide Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O2/c23-17-8-6-16(7-9-17)21-19(22(29)24-12-20(28)25-18-10-11-18)14-27(26-21)13-15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H,24,29)(H,25,28)