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

Systemtic Name: ethyl 3,5-dimethyl-4-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[3-keto-3-(4-phenylpiperazino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-4-28-22(27)21-16(2)19(17(3)23-21)10-11-20(26)25-14-12-24(13-15-25)18-8-6-5-7-9-18/h5-9,23H,4,10-15H2,1-3H3