(E)-3-(3-chloranyl-4-methyl-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4-methyl-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-methyl-phenyl)-1-[4-(4-pyridylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4-methylphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4-methylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-methyl-phenyl)-1-[4-(4-pyridylmethyl)piperazino]prop-2-en-1-one Formula: C20H22ClN3O MolecularWeight: 355.86118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C20H22ClN3O/c1-16-2-3-17(14-19(16)21)4-5-20(25)24-12-10-23(11-13-24)15-18-6-8-22-9-7-18/h2-9,14H,10-13,15H2,1H3/b5-4+