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

Systemtic Name: N-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine hydrochloride Openeye Name: N-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyl]-1-tetrahydropyran-3-yl-methanamine hydrochloride CAS Name: N-[[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]methyl]-1-(3-oxanyl)methanamine hydrochloride IUPAC Name: N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine hydrochloride Traditional Name: [3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyl-(tetrahydropyran-3-ylmethyl)amine hydrochloride Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2.ClH/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;1H