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

Systemtic Name: ethyl 2,5-dimethyl-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-5-28-22(27)20-14-17(3)25(18(20)4)15-21(26)24-11-9-23(10-12-24)19-8-6-7-16(2)13-19/h6-8,13-14H,5,9-12,15H2,1-4H3