1-(3-chlorophenyl)-3-[(4Z)-4-(1-methylpyrrolidin-2-ylidene)-5-oxidanylidene-1-phenyl-pyrazol-3-yl]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[(4Z)-4-(1-methylpyrrolidin-2-ylidene)-5-oxidanylidene-1-phenyl-pyrazol-3-yl]urea Openeye Name: 1-(3-chlorophenyl)-3-[(4Z)-4-(1-methylpyrrolidin-2-ylidene)-5-oxo-1-phenyl-pyrazol-3-yl]urea CAS Name: 1-(3-chlorophenyl)-3-[(4Z)-4-(1-methyl-2-pyrrolidinylidene)-5-oxo-1-phenyl-3-pyrazolyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[(4Z)-4-(1-methylpyrrolidin-2-ylidene)-5-oxo-1-phenylpyrazol-3-yl]urea Traditional Name: 1-(3-chlorophenyl)-3-[(4Z)-5-keto-4-(1-methylpyrrolidin-2-ylidene)-1-phenyl-2-pyrazolin-3-yl]urea Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=C2C(=NN(C2=O)C3=CC=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CN\1CCC/C1=C/2\C(=NN(C2=O)C3=CC=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O2/c1-26-12-6-11-17(26)18-19(24-21(29)23-15-8-5-7-14(22)13-15)25-27(20(18)28)16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H2,23,24,25,29)/b18-17-