1-[3-(4-cyano-3-phenyl-pyrazol-1-yl)propanoylamino]-3-(3,4-dichlorophenyl)urea

Systemtic Name: 1-[3-(4-cyano-3-phenyl-pyrazol-1-yl)propanoylamino]-3-(3,4-dichlorophenyl)urea Openeye Name: 1-[3-(4-cyano-3-phenyl-pyrazol-1-yl)propanoylamino]-3-(3,4-dichlorophenyl)urea CAS Name: 1-[[3-(4-cyano-3-phenyl-1-pyrazolyl)-1-oxopropyl]amino]-3-(3,4-dichlorophenyl)urea IUPAC Name: 1-[3-(4-cyano-3-phenylpyrazol-1-yl)propanoylamino]-3-(3,4-dichlorophenyl)urea Traditional Name: 1-[3-(4-cyano-3-phenyl-pyrazol-1-yl)propanoylamino]-3-(3,4-dichlorophenyl)urea Formula: C20H16Cl2N6O2 MolecularWeight: 443.28604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C#N)CCC(=O)NNC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C#N)CCC(=O)NNC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H16Cl2N6O2/c21-16-7-6-15(10-17(16)22)24-20(30)26-25-18(29)8-9-28-12-14(11-23)19(27-28)13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,25,29)(H2,24,26,30)