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

Systemtic Name: 4-tert-butyl-N-[3-[2-[[4-(dipentylcarbamoyl)phenyl]amino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-[4-(dipentylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[2-[4-[(dipentylamino)-oxomethyl]anilino]-4-pyrimidinyl]-2-methylphenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-[4-(dipentylcarbamoyl)anilino]pyrimidin-4-yl]-2-methylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[2-[4-(diamylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide Formula: C39H49N5O2 MolecularWeight: 619.83866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=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

CCCCCN(CCCCC)C(=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/C39H49N5O2/c1-7-9-11-26-44(27-12-10-8-2)37(46)30-18-22-32(23-19-30)41-38-40-25-24-35(43-38)33-14-13-15-34(28(33)3)42-36(45)29-16-20-31(21-17-29)39(4,5)6/h13-25H,7-12,26-27H2,1-6H3,(H,42,45)(H,40,41,43)