azocan-1-yl-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone

Systemtic Name: azocan-1-yl-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone Openeye Name: azocan-1-yl-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone CAS Name: 1-azocanyl-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone IUPAC Name: azocan-1-yl-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone Traditional Name: azocan-1-yl-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O2/c22-18(21-11-7-2-1-3-8-12-21)17-13-15(19-20-17)14-23-16-9-5-4-6-10-16/h4-6,9-10,13H,1-3,7-8,11-12,14H2,(H,19,20)