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

Systemtic Name: 1-(1-benzothiophen-3-yl)-2-butyl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]heptan-1-ol Openeye Name: 1-(benzothiophen-3-yl)-2-butyl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]heptan-1-ol CAS Name: 1-(1-benzothiophen-3-yl)-2-butyl-3-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-1-heptanol IUPAC Name: 1-(1-benzothiophen-3-yl)-2-butyl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]heptan-1-ol Traditional Name: 1-(benzothiophen-3-yl)-2-butyl-3-(4-p-anisylpiperazino)heptan-1-ol Formula: C31H44N2O2S MolecularWeight: 508.75826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCC)N1CCN(CC1)CC2=CC=C(C=C2)OC)C(C3=CSC4=CC=CC=C43)O

Isomeric SMILES

CCCCC(C(CCCC)N1CCN(CC1)CC2=CC=C(C=C2)OC)C(C3=CSC4=CC=CC=C43)O

InChI

InChI=1S/C31H44N2O2S/c1-4-6-10-27(31(34)28-23-36-30-13-9-8-11-26(28)30)29(12-7-5-2)33-20-18-32(19-21-33)22-24-14-16-25(35-3)17-15-24/h8-9,11,13-17,23,27,29,31,34H,4-7,10,12,18-22H2,1-3H3