3-[2-(3-chlorophenyl)-5-(4-oxidanylpiperidin-1-yl)carbonyl-pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(3-chlorophenyl)-5-(4-oxidanylpiperidin-1-yl)carbonyl-pyrazol-3-yl]benzenecarbonitrile Openeye Name: 3-[2-(3-chlorophenyl)-5-(4-hydroxypiperidine-1-carbonyl)pyrazol-3-yl]benzonitrile CAS Name: 3-[2-(3-chlorophenyl)-5-[(4-hydroxy-1-piperidinyl)-oxomethyl]-3-pyrazolyl]benzonitrile IUPAC Name: 3-[2-(3-chlorophenyl)-5-(4-hydroxypiperidine-1-carbonyl)pyrazol-3-yl]benzonitrile Traditional Name: 3-[2-(3-chlorophenyl)-5-(4-hydroxypiperidine-1-carbonyl)pyrazol-3-yl]benzonitrile Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)C2=NN(C(=C2)C3=CC=CC(=C3)C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1O)C(=O)C2=NN(C(=C2)C3=CC=CC(=C3)C#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H19ClN4O2/c23-17-5-2-6-18(12-17)27-21(16-4-1-3-15(11-16)14-24)13-20(25-27)22(29)26-9-7-19(28)8-10-26/h1-6,11-13,19,28H,7-10H2