1-[3-[4-(3-chlorophenyl)-3-pyridin-2-yl-pyrazol-4-yl]but-2-en-2-yl]piperazine hydrochloride

Systemtic Name: 1-[3-[4-(3-chlorophenyl)-3-pyridin-2-yl-pyrazol-4-yl]but-2-en-2-yl]piperazine hydrochloride Openeye Name: 1-[2-[4-(3-chlorophenyl)-3-(2-pyridyl)pyrazol-4-yl]-1-methyl-prop-1-enyl]piperazine hydrochloride CAS Name: 1-[3-[4-(3-chlorophenyl)-3-(2-pyridinyl)-4-pyrazolyl]but-2-en-2-yl]piperazine hydrochloride IUPAC Name: 1-[3-[4-(3-chlorophenyl)-3-pyridin-2-ylpyrazol-4-yl]but-2-en-2-yl]piperazine hydrochloride Traditional Name: 1-[2-[4-(3-chlorophenyl)-3-(2-pyridyl)pyrazol-4-yl]-1-methyl-prop-1-enyl]piperazine hydrochloride Formula: C22H25Cl2N5 MolecularWeight: 430.3734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)N1CCNCC1)C2(C=NN=C2C3=CC=CC=N3)C4=CC(=CC=C4)Cl.Cl

Isomeric SMILES

CC(=C(C)N1CCNCC1)C2(C=NN=C2C3=CC=CC=N3)C4=CC(=CC=C4)Cl.Cl

InChI

InChI=1S/C22H24ClN5.ClH/c1-16(17(2)28-12-10-24-11-13-28)22(18-6-5-7-19(23)14-18)15-26-27-21(22)20-8-3-4-9-25-20;/h3-9,14-15,24H,10-13H2,1-2H3;1H