1-[4-[4-[(E)-2-methyl-3-phenyl-prop-2-enoyl]piperazin-1-yl]pyrimidin-2-yl]ethyl ethanoate

Systemtic Name: 1-[4-[4-[(E)-2-methyl-3-phenyl-prop-2-enoyl]piperazin-1-yl]pyrimidin-2-yl]ethyl ethanoate Openeye Name: 1-[4-[4-[(E)-2-methyl-3-phenyl-prop-2-enoyl]piperazin-1-yl]pyrimidin-2-yl]ethyl acetate CAS Name: acetic acid 1-[4-[4-[(E)-2-methyl-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]ethyl ester IUPAC Name: 1-[4-[4-[(E)-2-methyl-3-phenylprop-2-enoyl]piperazin-1-yl]pyrimidin-2-yl]ethyl acetate Traditional Name: acetic acid 1-[4-[4-[(E)-2-methyl-3-phenyl-acryloyl]piperazino]pyrimidin-2-yl]ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC(=N1)N2CCN(CC2)C(=O)C(=CC3=CC=CC=C3)C)OC(=O)C

Isomeric SMILES

CC(C1=NC=CC(=N1)N2CCN(CC2)C(=O)/C(=C/C3=CC=CC=C3)/C)OC(=O)C

InChI

InChI=1S/C22H26N4O3/c1-16(15-19-7-5-4-6-8-19)22(28)26-13-11-25(12-14-26)20-9-10-23-21(24-20)17(2)29-18(3)27/h4-10,15,17H,11-14H2,1-3H3/b16-15+