2-[5-methyl-4-[(E)-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]pyrazol-1-yl]pyrimidine dihydrochloride

Systemtic Name: 2-[5-methyl-4-[(E)-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]pyrazol-1-yl]pyrimidine dihydrochloride Openeye Name: 2-[5-methyl-4-[(E)-3-[4-(1-piperidyl)-1-piperidyl]prop-1-enyl]pyrazol-1-yl]pyrimidine dihydrochloride CAS Name: 2-[5-methyl-4-[(E)-3-[4-(1-piperidinyl)-1-piperidinyl]prop-1-enyl]-1-pyrazolyl]pyrimidine dihydrochloride IUPAC Name: 2-[5-methyl-4-[(E)-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]pyrazol-1-yl]pyrimidine dihydrochloride Traditional Name: 2-[5-methyl-4-[(E)-3-(4-piperidinopiperidino)prop-1-enyl]pyrazol-1-yl]pyrimidine dihydrochloride Formula: C21H32Cl2N6 MolecularWeight: 439.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C=CCN3CCC(CC3)N4CCCCC4.Cl.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)/C=C/CN3CCC(CC3)N4CCCCC4.Cl.Cl

InChI

InChI=1S/C21H30N6.2ClH/c1-18-19(17-24-27(18)21-22-10-6-11-23-21)7-5-12-25-15-8-20(9-16-25)26-13-3-2-4-14-26;;/h5-7,10-11,17,20H,2-4,8-9,12-16H2,1H3;2*1H/b7-5+;;