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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-3-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]-1-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-1-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]-1-(3-pyridyl)prop-2-en-1-one Formula: C20H18ClN3O MolecularWeight: 351.82942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)C3=CN=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)C3=CN=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O/c1-14-5-7-16(8-6-14)13-24-20(21)18(15(2)23-24)9-10-19(25)17-4-3-11-22-12-17/h3-12H,13H2,1-2H3/b10-9+