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

Systemtic Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-oxidanylidene-3-(4-pyrazin-2-ylpiperazin-1-yl)prop-1-enyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)prop-1-enyl]pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-4-[(E)-3-oxo-3-[4-(2-pyrazinyl)-1-piperazinyl]prop-1-enyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)prop-1-enyl]pyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[(E)-3-keto-3-(4-pyrazin-2-ylpiperazino)prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCN(CC2)C3=NC=CN=C3)C

InChI

InChI=1S/C22H29N5O3/c1-5-27-16(3)18(21(17(27)4)22(29)30-6-2)7-8-20(28)26-13-11-25(12-14-26)19-15-23-9-10-24-19/h7-10,15H,5-6,11-14H2,1-4H3/b8-7+