N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-1,3-dihydroisoindole-5-carboxamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-1,3-dihydroisoindole-5-carboxamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-2-prop-2-enoyl-isoindoline-5-carboxamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-2-(1-oxoprop-2-enyl)-1,3-dihydroisoindole-5-carboxamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-1,3-dihydroisoindole-5-carboxamide Traditional Name: 2-acryloyl-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]isoindoline-5-carboxamide Formula: C28H24N6O2 MolecularWeight: 476.52916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(CN(C3)C(=O)C=C)C=C2)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(CN(C3)C(=O)C=C)C=C2)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H24N6O2/c1-3-26(35)34-16-21-8-7-19(13-22(21)17-34)27(36)31-23-9-6-18(2)25(14-23)33-28-30-12-10-24(32-28)20-5-4-11-29-15-20/h3-15H,1,16-17H2,2H3,(H,31,36)(H,30,32,33)