1-(3,4-dichlorophenyl)carbonyl-4-[[(6-pyrazol-1-ylpyridin-2-yl)methylamino]methyl]piperidine-4-carbonitrile

Systemtic Name: 1-(3,4-dichlorophenyl)carbonyl-4-[[(6-pyrazol-1-ylpyridin-2-yl)methylamino]methyl]piperidine-4-carbonitrile Openeye Name: 1-(3,4-dichlorobenzoyl)-4-[[(6-pyrazol-1-yl-2-pyridyl)methylamino]methyl]piperidine-4-carbonitrile CAS Name: 1-[(3,4-dichlorophenyl)-oxomethyl]-4-[[[6-(1-pyrazolyl)-2-pyridinyl]methylamino]methyl]-4-piperidinecarbonitrile IUPAC Name: 1-(3,4-dichlorobenzoyl)-4-[[(6-pyrazol-1-ylpyridin-2-yl)methylamino]methyl]piperidine-4-carbonitrile Traditional Name: 1-(3,4-dichlorobenzoyl)-4-[[(6-pyrazol-1-yl-2-pyridyl)methylamino]methyl]isonipecotonitrile Formula: C23H22Cl2N6O MolecularWeight: 469.36638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNCC2=NC(=CC=C2)N3C=CC=N3)C#N)C(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1(CNCC2=NC(=CC=C2)N3C=CC=N3)C#N)C(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H22Cl2N6O/c24-19-6-5-17(13-20(19)25)22(32)30-11-7-23(15-26,8-12-30)16-27-14-18-3-1-4-21(29-18)31-10-2-9-28-31/h1-6,9-10,13,27H,7-8,11-12,14,16H2