methyl 4-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)-1H-pyrrole-2-carboxylate CAS Name: 4-(4-chlorophenyl)-3-(4-phenyl-1-piperazinyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-(4-phenylpiperazino)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O2/c1-28-22(27)20-21(19(15-24-20)16-7-9-17(23)10-8-16)26-13-11-25(12-14-26)18-5-3-2-4-6-18/h2-10,15,24H,11-14H2,1H3