(1,5-dimethylpyrazol-4-yl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone

Systemtic Name: (1,5-dimethylpyrazol-4-yl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: (1,5-dimethylpyrazol-4-yl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: (1,5-dimethyl-4-pyrazolyl)-[2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: (1,5-dimethylpyrazol-4-yl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: (1,5-dimethylpyrazol-4-yl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=NN1C)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N3O2/c1-14-17(13-20-21(14)2)19(23)22-12-6-4-5-7-18(22)15-8-10-16(24-3)11-9-15/h8-11,13,18H,4-7,12H2,1-3H3