ethyl 1-[2-(4-butan-2-ylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-butan-2-ylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-1-[2-oxo-2-(4-sec-butylpiperazin-1-yl)ethyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-(4-butan-2-yl-1-piperazinyl)-2-oxoethyl]-2,4-dimethyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-butan-2-ylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-(4-sec-butylpiperazino)ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C(=O)CN2C(=C(C(=C2C3=CC=CC=C3)C)C(=O)OCC)C

Isomeric SMILES

CCC(C)N1CCN(CC1)C(=O)CN2C(=C(C(=C2C3=CC=CC=C3)C)C(=O)OCC)C

InChI

InChI=1S/C25H35N3O3/c1-6-18(3)26-13-15-27(16-14-26)22(29)17-28-20(5)23(25(30)31-7-2)19(4)24(28)21-11-9-8-10-12-21/h8-12,18H,6-7,13-17H2,1-5H3