1-(6-chloranyl-1-benzothiophen-3-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-ol

Systemtic Name: 1-(6-chloranyl-1-benzothiophen-3-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-ol Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(6-chlorobenzothiophen-3-yl)propan-1-ol CAS Name: 1-(6-chloro-1-benzothiophen-3-yl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanol IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(6-chloro-1-benzothiophen-3-yl)propan-1-ol Traditional Name: 3-(4-benzylpiperazino)-1-(6-chlorobenzothiophen-3-yl)propan-1-ol Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CSC3=C2C=CC(=C3)Cl)O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(C2=CSC3=C2C=CC(=C3)Cl)O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25ClN2OS/c23-18-6-7-19-20(16-27-22(19)14-18)21(26)8-9-24-10-12-25(13-11-24)15-17-4-2-1-3-5-17/h1-7,14,16,21,26H,8-13,15H2