[2-(4-methoxyphenyl)azepan-1-yl]-(1-methylpyrazol-4-yl)methanone

Systemtic Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylpyrazol-4-yl)methanone Openeye Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylpyrazol-4-yl)methanone CAS Name: [2-(4-methoxyphenyl)-1-azepanyl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylpyrazol-4-yl)methanone Traditional Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylpyrazol-4-yl)methanone Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H23N3O2/c1-20-13-15(12-19-20)18(22)21-11-5-3-4-6-17(21)14-7-9-16(23-2)10-8-14/h7-10,12-13,17H,3-6,11H2,1-2H3