1-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-chloranyl-propan-1-one

Systemtic Name: 1-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-chloranyl-propan-1-one Openeye Name: 1-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-chloro-propan-1-one CAS Name: 1-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-chloro-1-propanone IUPAC Name: 1-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-chloropropan-1-one Traditional Name: 1-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-chloro-propan-1-one Formula: C13H20ClNO MolecularWeight: 241.757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C(=O)C(C)Cl)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)C(=O)C(C)Cl)C

InChI

InChI=1S/C13H20ClNO/c1-5-6-7-15-9(2)8-12(11(15)4)13(16)10(3)14/h8,10H,5-7H2,1-4H3