2-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propanoylamino]benzamide

Systemtic Name: 2-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propanoylamino]benzamide Openeye Name: 2-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propanoylamino]benzamide CAS Name: 2-[[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanoylamino]benzamide Traditional Name: 2-[3-[4-(5-chloro-2-methyl-phenyl)piperazino]propanoylamino]benzamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H25ClN4O2/c1-15-6-7-16(22)14-19(15)26-12-10-25(11-13-26)9-8-20(27)24-18-5-3-2-4-17(18)21(23)28/h2-7,14H,8-13H2,1H3,(H2,23,28)(H,24,27)