2-(azocan-1-yl)-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(azocan-1-yl)-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]ethanone Openeye Name: 2-(azocan-1-yl)-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]ethanone CAS Name: 2-(1-azocanyl)-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]ethanone IUPAC Name: 2-(azocan-1-yl)-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]ethanone Traditional Name: 2-(azocan-1-yl)-1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]ethanone Formula: C17H25N5O MolecularWeight: 315.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CN3CCCCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CN3CCCCCCC3

InChI

InChI=1S/C17H25N5O/c1-13-10-15(14(2)22(13)17-18-12-19-20-17)16(23)11-21-8-6-4-3-5-7-9-21/h10,12H,3-9,11H2,1-2H3,(H,18,19,20)