N-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-1-(5-ethylpyridin-2-yl)methanamine

Systemtic Name: N-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-1-(5-ethylpyridin-2-yl)methanamine Openeye Name: N-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-1-(5-ethyl-2-pyridyl)methanamine CAS Name: N-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-1-(5-ethyl-2-pyridinyl)methanamine IUPAC Name: N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-1-(5-ethylpyridin-2-yl)methanamine Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-[(5-ethyl-2-pyridyl)methyl]amine Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CNCC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CN=C(C=C1)CNCC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O/c1-2-20-12-13-24(29-15-20)17-28-16-23-19-31(18-21-8-4-3-5-9-21)30-27(23)26-14-22-10-6-7-11-25(22)32-26/h3-15,19,28H,2,16-18H2,1H3