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

Systemtic Name: ethyl 1-ethyl-4-[(E)-3-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-4-[(E)-3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-4-[(E)-3-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-oxoprop-1-enyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[(E)-3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[(E)-3-keto-3-(4-m-anisoylpiperazino)prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C26H33N3O5/c1-6-29-18(3)22(24(19(29)4)26(32)34-7-2)11-12-23(30)27-13-15-28(16-14-27)25(31)20-9-8-10-21(17-20)33-5/h8-12,17H,6-7,13-16H2,1-5H3/b12-11+