N-[5-[(tert-butylamino)methyl]-2-methyl-phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide

Systemtic Name: N-[5-[(tert-butylamino)methyl]-2-methyl-phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide Openeye Name: N-[5-[(tert-butylamino)methyl]-2-methyl-phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide CAS Name: N-[5-[(tert-butylamino)methyl]-2-methylphenyl]-4-[(4-phenyl-2-quinazolinyl)amino]benzamide IUPAC Name: N-[5-[(tert-butylamino)methyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide Traditional Name: N-[5-[(tert-butylamino)methyl]-2-methyl-phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide Formula: C33H33N5O MolecularWeight: 515.64802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(C)(C)C)NC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(C)(C)C)NC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C33H33N5O/c1-22-14-15-23(21-34-33(2,3)4)20-29(22)36-31(39)25-16-18-26(19-17-25)35-32-37-28-13-9-8-12-27(28)30(38-32)24-10-6-5-7-11-24/h5-20,34H,21H2,1-4H3,(H,36,39)(H,35,37,38)