(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-1-piperidin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-1-piperidin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-(1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-piperidino-prop-2-en-1-one Formula: C19H22ClN3O MolecularWeight: 343.85048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCCCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H22ClN3O/c1-15-17(10-11-18(24)22-12-6-3-7-13-22)19(20)23(21-15)14-16-8-4-2-5-9-16/h2,4-5,8-11H,3,6-7,12-14H2,1H3/b11-10+