3-(3-chloranyl-4-methyl-phenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(3-pyridylmethyl)piperazino]propan-1-one Formula: C20H24ClN3O MolecularWeight: 357.87706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O/c1-16-4-5-17(13-19(16)21)6-7-20(25)24-11-9-23(10-12-24)15-18-3-2-8-22-14-18/h2-5,8,13-14H,6-7,9-12,15H2,1H3