ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxo-prop-1-enyl]pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-3-oxoprop-1-enyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxoprop-1-enyl]pyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[(E)-3-(4-isobutyrylpiperazino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N2CCN(CC2)C(=O)C(C)C)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCN(CC2)C(=O)C(C)C)C

InChI

InChI=1S/C22H33N3O4/c1-7-25-16(5)18(20(17(25)6)22(28)29-8-2)9-10-19(26)23-11-13-24(14-12-23)21(27)15(3)4/h9-10,15H,7-8,11-14H2,1-6H3/b10-9+