4-tert-butyl-N-[3-[2-[[4-(heptan-2-ylcarbamoyl)phenyl]amino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[2-[[4-(heptan-2-ylcarbamoyl)phenyl]amino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(1-methylhexylcarbamoyl)anilino]pyrimidin-4-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[2-[4-[(heptan-2-ylamino)-oxomethyl]anilino]-4-pyrimidinyl]-2-methylphenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-[4-(heptan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]-2-methylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(1-methylhexylcarbamoyl)anilino]pyrimidin-4-yl]phenyl]benzamide Formula: C36H43N5O2 MolecularWeight: 577.75892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C(C(=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C(C(=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C36H43N5O2/c1-7-8-9-11-24(2)38-33(42)27-16-20-29(21-17-27)39-35-37-23-22-32(41-35)30-12-10-13-31(25(30)3)40-34(43)26-14-18-28(19-15-26)36(4,5)6/h10,12-24H,7-9,11H2,1-6H3,(H,38,42)(H,40,43)(H,37,39,41)