4-(chloromethyl)-4-methyl-N-phenyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: 4-(chloromethyl)-4-methyl-N-phenyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexa-1,5-diene-1-carboxamide Openeye Name: 4-(chloromethyl)-4-methyl-N-phenyl-5-[[4-(3-pyridyl)pyrimidin-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide CAS Name: 4-(chloromethyl)-4-methyl-N-phenyl-5-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: 4-(chloromethyl)-4-methyl-N-phenyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexa-1,5-diene-1-carboxamide Traditional Name: 4-(chloromethyl)-4-methyl-N-phenyl-5-[[4-(3-pyridyl)pyrimidin-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide Formula: C24H22ClN5O MolecularWeight: 431.91738

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C=C1NC2=NC=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=CC=C4)CCl

Isomeric SMILES

CC1(CC=C(C=C1NC2=NC=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=CC=C4)CCl

InChI

InChI=1S/C24H22ClN5O/c1-24(16-25)11-9-17(22(31)28-19-7-3-2-4-8-19)14-21(24)30-23-27-13-10-20(29-23)18-6-5-12-26-15-18/h2-10,12-15H,11,16H2,1H3,(H,28,31)(H,27,29,30)