[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O3/c1-16-14-18(17(2)27(16)19-5-6-19)4-7-21(29)30-15-20(28)25-10-12-26(13-11-25)22-23-8-3-9-24-22/h3-4,7-9,14,19H,5-6,10-13,15H2,1-2H3/b7-4+