2-(azepan-1-yl)-1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(azepan-1-yl)-1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(azepan-1-yl)-1-[3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1-azepanyl)-1-[3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(azepan-1-yl)-1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(azepan-1-yl)-1-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CN4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CN4CCCCCC4

InChI

InChI=1S/C22H27N3O3/c1-27-18-10-8-17(9-11-18)19-15-20(21-7-6-14-28-21)25(23-19)22(26)16-24-12-4-2-3-5-13-24/h6-11,14,20H,2-5,12-13,15-16H2,1H3