4-[4-chloranyl-3-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-2-one

Systemtic Name: 4-[4-chloranyl-3-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-2-one Openeye Name: 4-[4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-2-one CAS Name: 4-[[4-chloro-3-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-2-one Traditional Name: 4-[4-chloro-3-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-2-one Formula: C17H18ClN3O2 MolecularWeight: 331.79672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)C(=O)N3CCNC(=O)C3)Cl)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)C(=O)N3CCNC(=O)C3)Cl)C

InChI

InChI=1S/C17H18ClN3O2/c1-11-3-4-12(2)21(11)15-9-13(5-6-14(15)18)17(23)20-8-7-19-16(22)10-20/h3-6,9H,7-8,10H2,1-2H3,(H,19,22)