azepan-1-yl-[5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-1H-pyrazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-1H-pyrazol-3-yl]methanone Openeye Name: azepan-1-yl-[5-[(2-chloro-4-methoxy-phenoxy)methyl]-1H-pyrazol-3-yl]methanone CAS Name: 1-azepanyl-[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone Traditional Name: azepan-1-yl-[5-[(2-chloro-4-methoxy-phenoxy)methyl]-1H-pyrazol-3-yl]methanone Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=CC(=NN2)C(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=CC(=NN2)C(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-24-14-6-7-17(15(19)11-14)25-12-13-10-16(21-20-13)18(23)22-8-4-2-3-5-9-22/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,20,21)