N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-propoxy-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-propoxy-benzamide Openeye Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-propoxy-benzamide CAS Name: N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-propoxybenzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide Traditional Name: N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-4-propoxy-benzamide Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H30ClN3O3/c1-3-19-35-23-13-11-21(12-14-23)27(33)30-25-6-4-5-24(29)26(25)31-15-17-32(18-16-31)28(34)22-9-7-20(2)8-10-22/h4-14H,3,15-19H2,1-2H3,(H,30,33)