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

Systemtic Name: [4-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[(2S)-3-(4-benzylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]phenyl]-phenylmethanone IUPAC Name: [4-[(2S)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone Traditional Name: [4-[(2S)-3-(4-benzylpiperazino)-2-hydroxy-propoxy]phenyl]-phenyl-methanone Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C[C@@H](COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C27H30N2O3/c30-25(20-29-17-15-28(16-18-29)19-22-7-3-1-4-8-22)21-32-26-13-11-24(12-14-26)27(31)23-9-5-2-6-10-23/h1-14,25,30H,15-21H2/t25-/m0/s1