N-(6-azanylhexyl)-4-tert-butyl-N-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]benzamide

Systemtic Name: N-(6-azanylhexyl)-4-tert-butyl-N-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]benzamide Openeye Name: N-(6-aminohexyl)-4-tert-butyl-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide CAS Name: N-(6-aminohexyl)-4-tert-butyl-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide IUPAC Name: N-(6-aminohexyl)-4-tert-butyl-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide Traditional Name: N-(6-aminohexyl)-4-tert-butyl-N-[1-(4-keto-1H-quinazolin-2-yl)ethyl]benzamide Formula: C27H36N4O2 MolecularWeight: 448.60034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCCN)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCCN)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H36N4O2/c1-19(24-29-23-12-8-7-11-22(23)25(32)30-24)31(18-10-6-5-9-17-28)26(33)20-13-15-21(16-14-20)27(2,3)4/h7-8,11-16,19H,5-6,9-10,17-18,28H2,1-4H3,(H,29,30,32)