(E)-3-(4-bromophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]acrylamide Formula: C25H20BrN5O MolecularWeight: 486.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)Br)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)Br)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C25H20BrN5O/c1-17-4-10-21(29-24(32)11-7-18-5-8-20(26)9-6-18)15-23(17)31-25-28-14-12-22(30-25)19-3-2-13-27-16-19/h2-16H,1H3,(H,29,32)(H,28,30,31)/b11-7+