N-cyclooctyl-3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-cyclooctyl-3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: N-cyclooctyl-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-cyclooctyl-3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-cyclooctyl-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: N-cyclooctyl-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C26H31N5O/c1-19-9-7-13-22(17-19)30-26-27-16-15-24(31-26)28-23-14-8-10-20(18-23)25(32)29-21-11-5-3-2-4-6-12-21/h7-10,13-18,21H,2-6,11-12H2,1H3,(H,29,32)(H2,27,28,30,31)