1-(1-benzothiophen-3-yl)-2-butyl-3-[4-(1-phenylethyl)piperazin-1-yl]heptan-1-ol

Systemtic Name: 1-(1-benzothiophen-3-yl)-2-butyl-3-[4-(1-phenylethyl)piperazin-1-yl]heptan-1-ol Openeye Name: 1-(benzothiophen-3-yl)-2-butyl-3-[4-(1-phenylethyl)piperazin-1-yl]heptan-1-ol CAS Name: 1-(1-benzothiophen-3-yl)-2-butyl-3-[4-(1-phenylethyl)-1-piperazinyl]-1-heptanol IUPAC Name: 1-(1-benzothiophen-3-yl)-2-butyl-3-[4-(1-phenylethyl)piperazin-1-yl]heptan-1-ol Traditional Name: 1-(benzothiophen-3-yl)-2-butyl-3-[4-(1-phenylethyl)piperazino]heptan-1-ol Formula: C31H44N2OS MolecularWeight: 492.75886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCC)N1CCN(CC1)C(C)C2=CC=CC=C2)C(C3=CSC4=CC=CC=C43)O

Isomeric SMILES

CCCCC(C(CCCC)N1CCN(CC1)C(C)C2=CC=CC=C2)C(C3=CSC4=CC=CC=C43)O

InChI

InChI=1S/C31H44N2OS/c1-4-6-15-27(31(34)28-23-35-30-18-12-11-16-26(28)30)29(17-7-5-2)33-21-19-32(20-22-33)24(3)25-13-9-8-10-14-25/h8-14,16,18,23-24,27,29,31,34H,4-7,15,17,19-22H2,1-3H3