2-[3-(1-benzothiophen-5-ylmethoxy)-2-piperidin-4-yl-phenoxy]-1-phenyl-butan-1-one

Systemtic Name: 2-[3-(1-benzothiophen-5-ylmethoxy)-2-piperidin-4-yl-phenoxy]-1-phenyl-butan-1-one Openeye Name: 2-[3-(benzothiophen-5-ylmethoxy)-2-(4-piperidyl)phenoxy]-1-phenyl-butan-1-one CAS Name: 2-[3-(1-benzothiophen-5-ylmethoxy)-2-(4-piperidinyl)phenoxy]-1-phenyl-1-butanone IUPAC Name: 2-[3-(1-benzothiophen-5-ylmethoxy)-2-piperidin-4-ylphenoxy]-1-phenylbutan-1-one Traditional Name: 2-[3-(benzothiophen-5-ylmethoxy)-2-(4-piperidyl)phenoxy]-1-phenyl-butan-1-one Formula: C30H31NO3S MolecularWeight: 485.63704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC2=CC=CC(=C2C3CCNCC3)OCC4=CC5=C(C=C4)SC=C5

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC2=CC=CC(=C2C3CCNCC3)OCC4=CC5=C(C=C4)SC=C5

InChI

InChI=1S/C30H31NO3S/c1-2-25(30(32)23-7-4-3-5-8-23)34-27-10-6-9-26(29(27)22-13-16-31-17-14-22)33-20-21-11-12-28-24(19-21)15-18-35-28/h3-12,15,18-19,22,25,31H,2,13-14,16-17,20H2,1H3