3-[2-(3-chlorophenyl)-5-morpholin-4-ylcarbonyl-pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(3-chlorophenyl)-5-morpholin-4-ylcarbonyl-pyrazol-3-yl]benzenecarbonitrile Openeye Name: 3-[2-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyrazol-3-yl]benzonitrile CAS Name: 3-[2-(3-chlorophenyl)-5-[4-morpholinyl(oxo)methyl]-3-pyrazolyl]benzonitrile IUPAC Name: 3-[2-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyrazol-3-yl]benzonitrile Traditional Name: 3-[2-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyrazol-3-yl]benzonitrile Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=NN(C(=C2)C3=CC=CC(=C3)C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCCN1C(=O)C2=NN(C(=C2)C3=CC=CC(=C3)C#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4O2/c22-17-5-2-6-18(12-17)26-20(16-4-1-3-15(11-16)14-23)13-19(24-26)21(27)25-7-9-28-10-8-25/h1-6,11-13H,7-10H2