4-[[(E)-4-methoxybut-2-enoyl]amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-[[(E)-4-methoxybut-2-enoyl]amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[[(E)-4-methoxybut-2-enoyl]amino]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[[(E)-4-methoxy-1-oxobut-2-enyl]amino]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[[(E)-4-methoxybut-2-enoyl]amino]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[[(E)-4-methoxybut-2-enoyl]amino]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N6O3/c1-19-7-10-23(17-25(19)34-28-30-15-13-24(33-28)21-5-3-14-29-18-21)32-27(36)20-8-11-22(12-9-20)31-26(35)6-4-16-37-2/h3-15,17-18H,16H2,1-2H3,(H,31,35)(H,32,36)(H,30,33,34)/b6-4+