ethyl (E)-3-[3-aminocarbonyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-aminocarbonyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-carbamoyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-carbamoyl-5-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-carbamoyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-carbamoyl-5-[[4-(2-pyrimidyl)piperazino]methyl]phenyl]acrylic acid ethyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)C(=O)N

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)C(=O)N

InChI

InChI=1S/C21H25N5O3/c1-2-29-19(27)5-4-16-12-17(14-18(13-16)20(22)28)15-25-8-10-26(11-9-25)21-23-6-3-7-24-21/h3-7,12-14H,2,8-11,15H2,1H3,(H2,22,28)/b5-4+