N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethanamine

Systemtic Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethanamine Openeye Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethanamine CAS Name: N-(2,3-dihydrobenzofuran-5-ylmethyl)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethanamine IUPAC Name: N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine Traditional Name: coumaran-5-ylmethyl-[1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]amine Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)NCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(C)NCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H23N3O/c1-15(22-13-17-8-9-21-18(12-17)10-11-25-21)20-14-23-24(16(20)2)19-6-4-3-5-7-19/h3-9,12,14-15,22H,10-11,13H2,1-2H3