ethyl 1-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C

InChI

InChI=1S/C22H28ClN3O3/c1-5-29-22(28)19-12-16(3)26(17(19)4)14-21(27)25-10-8-24(9-11-25)20-13-18(23)7-6-15(20)2/h6-7,12-13H,5,8-11,14H2,1-4H3