2-chloranyl-1-[2,5-dimethyl-1-(1-methylpyrazol-4-yl)pyrrol-3-yl]propan-1-one

Systemtic Name: 2-chloranyl-1-[2,5-dimethyl-1-(1-methylpyrazol-4-yl)pyrrol-3-yl]propan-1-one Openeye Name: 2-chloro-1-[2,5-dimethyl-1-(1-methylpyrazol-4-yl)pyrrol-3-yl]propan-1-one CAS Name: 2-chloro-1-[2,5-dimethyl-1-(1-methyl-4-pyrazolyl)-3-pyrrolyl]-1-propanone IUPAC Name: 2-chloro-1-[2,5-dimethyl-1-(1-methylpyrazol-4-yl)pyrrol-3-yl]propan-1-one Traditional Name: 2-chloro-1-[2,5-dimethyl-1-(1-methylpyrazol-4-yl)pyrrol-3-yl]propan-1-one Formula: C13H16ClN3O MolecularWeight: 265.73864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN(N=C2)C)C)C(=O)C(C)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CN(N=C2)C)C)C(=O)C(C)Cl

InChI

InChI=1S/C13H16ClN3O/c1-8-5-12(13(18)9(2)14)10(3)17(8)11-6-15-16(4)7-11/h5-7,9H,1-4H3