(E)-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1-piperidyl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[[2-(phenoxymethyl)-1-benzimidazolyl]methyl]-1-piperidinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidino]-3-(2-thienyl)prop-2-en-1-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)C=CC5=CC=CS5

Isomeric SMILES

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)/C=C/C5=CC=CS5

InChI

InChI=1S/C27H27N3O2S/c31-27(13-12-23-9-6-18-33-23)29-16-14-21(15-17-29)19-30-25-11-5-4-10-24(25)28-26(30)20-32-22-7-2-1-3-8-22/h1-13,18,21H,14-17,19-20H2/b13-12+