ethyl 3-ethyl-5-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-ethyl-5-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-ethyl-5-methyl-4-(4-phenylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-5-methyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-5-methyl-4-(4-phenylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-5-methyl-4-(4-phenylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)N2CCN(CC2)C3=CC=CC=C3)C)C(=O)OCC

Isomeric SMILES

CCC1=C(NC(=C1C(=O)N2CCN(CC2)C3=CC=CC=C3)C)C(=O)OCC

InChI

InChI=1S/C21H27N3O3/c1-4-17-18(15(3)22-19(17)21(26)27-5-2)20(25)24-13-11-23(12-14-24)16-9-7-6-8-10-16/h6-10,22H,4-5,11-14H2,1-3H3