1-(azepan-1-yl)-3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-one Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O2/c1-16-20(11-12-21(25)23-13-6-4-5-7-14-23)17(2)24(22-16)18-9-8-10-19(15-18)26-3/h8-10,15H,4-7,11-14H2,1-3H3