N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]-4-isobutoxy-benzamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[4-(4-benzoylpiperazino)-3-chloro-phenyl]-4-isobutoxy-benzamide Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H30ClN3O3/c1-20(2)19-35-24-11-8-21(9-12-24)27(33)30-23-10-13-26(25(29)18-23)31-14-16-32(17-15-31)28(34)22-6-4-3-5-7-22/h3-13,18,20H,14-17,19H2,1-2H3,(H,30,33)