N-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine

Systemtic Name: N-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine Openeye Name: N-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyl]-1-tetrahydropyran-3-yl-methanamine CAS Name: N-[[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]methyl]-1-(3-oxanyl)methanamine IUPAC Name: N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine Traditional Name: [3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyl-(tetrahydropyran-3-ylmethyl)amine Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2CNCC3CCCOC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2CNCC3CCCOC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2/c1-16-9-10-20(26-16)21-18(13-22-12-17-6-5-11-25-15-17)14-24(23-21)19-7-3-2-4-8-19/h2-4,7-10,14,17,22H,5-6,11-13,15H2,1H3