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

Systemtic Name: N-(6-azanylhexyl)-2-chloranyl-4-nitro-N-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]benzamide Openeye Name: N-(6-aminohexyl)-2-chloro-4-nitro-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide CAS Name: N-(6-aminohexyl)-2-chloro-4-nitro-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide IUPAC Name: N-(6-aminohexyl)-2-chloro-4-nitro-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide Traditional Name: N-(6-aminohexyl)-2-chloro-N-[1-(4-keto-1H-quinazolin-2-yl)ethyl]-4-nitro-benzamide Formula: C23H26ClN5O4 MolecularWeight: 471.93664

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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCCN)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H26ClN5O4/c1-15(21-26-20-9-5-4-8-18(20)22(30)27-21)28(13-7-3-2-6-12-25)23(31)17-11-10-16(29(32)33)14-19(17)24/h4-5,8-11,14-15H,2-3,6-7,12-13,25H2,1H3,(H,26,27,30)