[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-[3-ethoxy-4-(4-pyridylmethoxy)phenyl]methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-[3-ethoxy-4-(4-pyridylmethoxy)phenyl]methanone Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OCC5=CC=NC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OCC5=CC=NC=C5

InChI

InChI=1S/C28H29N3O3S/c1-2-33-26-17-22(7-8-25(26)34-19-21-9-11-29-12-10-21)28(32)31-15-13-30(14-16-31)18-23-20-35-27-6-4-3-5-24(23)27/h3-12,17,20H,2,13-16,18-19H2,1H3