N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(prop-2-enoylamino)methyl]benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(prop-2-enoylamino)methyl]benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(prop-2-enoylamino)methyl]benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(1-oxoprop-2-enylamino)methyl]benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(prop-2-enoylamino)methyl]benzamide Traditional Name: 4-(acrylamidomethyl)-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C27H24N6O2 MolecularWeight: 464.51846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N6O2/c1-3-25(34)30-16-19-7-9-20(10-8-19)26(35)31-22-11-6-18(2)24(15-22)33-27-29-14-12-23(32-27)21-5-4-13-28-17-21/h3-15,17H,1,16H2,2H3,(H,30,34)(H,31,35)(H,29,32,33)