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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H25N5O3/c1-29-18-6-3-17(4-7-18)5-8-19(27)22-12-9-20(28)25-13-15-26(16-14-25)21-23-10-2-11-24-21/h2-8,10-11H,9,12-16H2,1H3,(H,22,27)/b8-5+