ethyl 4-(2-chloranyl-5-pyrrol-1-yl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-chloranyl-5-pyrrol-1-yl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2-chloro-5-pyrrol-1-yl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[2-chloro-5-(1-pyrrolyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-5-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-5-pyrrol-1-yl-benzoyl)piperazine-1-carboxylic acid ethyl ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)N3C=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)N3C=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3O3/c1-2-25-18(24)22-11-9-21(10-12-22)17(23)15-13-14(5-6-16(15)19)20-7-3-4-8-20/h3-8,13H,2,9-12H2,1H3