2-(furan-2-yl)-N-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methyl]ethanamine

Systemtic Name: 2-(furan-2-yl)-N-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methyl]ethanamine Openeye Name: N-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl]-2-(2-furyl)ethanamine CAS Name: 2-(2-furanyl)-N-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]ethanamine IUPAC Name: N-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2-(furan-2-yl)ethanamine Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl-[2-(2-furyl)ethyl]amine Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)CNCCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)CNCCC4=CC=CO4

InChI

InChI=1S/C21H21N3OS/c1-2-6-17(7-3-1)15-24-16-18(21(23-24)20-9-5-13-26-20)14-22-11-10-19-8-4-12-25-19/h1-9,12-13,16,22H,10-11,14-15H2