[2-(3-bromanylphenoxy)pyridin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(3-bromanylphenoxy)pyridin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [2-(3-bromophenoxy)-3-pyridyl]-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [2-(3-bromophenoxy)-3-pyridinyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: [2-(3-bromophenoxy)pyridin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-(3-bromophenoxy)-3-pyridyl]-[4-(3-thenyl)piperazino]methanone Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)C3=C(N=CC=C3)OC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)C3=C(N=CC=C3)OC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN3O2S/c22-17-3-1-4-18(13-17)27-20-19(5-2-7-23-20)21(26)25-10-8-24(9-11-25)14-16-6-12-28-15-16/h1-7,12-13,15H,8-11,14H2