[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]-phenyl-methanone CAS Name: [4-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-phenylmethanone IUPAC Name: [4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone Traditional Name: [4-[3-[4-(3-chlorophenyl)piperazino]-2-hydroxy-propoxy]phenyl]-phenyl-methanone Formula: C26H27ClN2O3 MolecularWeight: 450.95718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H27ClN2O3/c27-22-7-4-8-23(17-22)29-15-13-28(14-16-29)18-24(30)19-32-25-11-9-21(10-12-25)26(31)20-5-2-1-3-6-20/h1-12,17,24,30H,13-16,18-19H2