N-(6-azanylhexyl)-3-bromanyl-N-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]benzamide

Systemtic Name: N-(6-azanylhexyl)-3-bromanyl-N-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]benzamide Openeye Name: N-(6-aminohexyl)-3-bromo-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide CAS Name: N-(6-aminohexyl)-3-bromo-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide IUPAC Name: N-(6-aminohexyl)-3-bromo-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide Traditional Name: N-(6-aminohexyl)-3-bromo-N-[1-(4-keto-1H-quinazolin-2-yl)ethyl]benzamide Formula: C23H27BrN4O2 MolecularWeight: 471.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O2/c1-16(21-26-20-12-5-4-11-19(20)22(29)27-21)28(14-7-3-2-6-13-25)23(30)17-9-8-10-18(24)15-17/h4-5,8-12,15-16H,2-3,6-7,13-14,25H2,1H3,(H,26,27,29)