ethyl 4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[3-[4-(4-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[3-[4-(4-chlorophenyl)piperazino]-3-keto-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H28ClN3O3/c1-4-29-22(28)21-15(2)19(16(3)24-21)9-10-20(27)26-13-11-25(12-14-26)18-7-5-17(23)6-8-18/h5-8,24H,4,9-14H2,1-3H3