2-[4-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]piperazino]isonicotinonitrile Formula: C22H21ClN6O MolecularWeight: 420.89474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)C)Cl

InChI

InChI=1S/C22H21ClN6O/c1-15-21(23)16(2)29(26-15)19-5-3-18(4-6-19)22(30)28-11-9-27(10-12-28)20-13-17(14-24)7-8-25-20/h3-8,13H,9-12H2,1-2H3