(E)-3-(4-methoxyphenyl)-N-[(2R)-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[(2R)-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[(1R)-1-methyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[(2R)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]prop-2-enamide Traditional Name: (E)-N-[(1R)-2-keto-1-methyl-2-[4-(2-pyrimidyl)piperazino]ethyl]-3-(4-methoxyphenyl)acrylamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N5O3/c1-16(24-19(27)9-6-17-4-7-18(29-2)8-5-17)20(28)25-12-14-26(15-13-25)21-22-10-3-11-23-21/h3-11,16H,12-15H2,1-2H3,(H,24,27)/b9-6+/t16-/m1/s1