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

Systemtic Name: N-(6-azanylhexyl)-3-nitro-N-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]benzamide Openeye Name: N-(6-aminohexyl)-3-nitro-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide CAS Name: N-(6-aminohexyl)-3-nitro-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide IUPAC Name: N-(6-aminohexyl)-3-nitro-N-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]benzamide Traditional Name: N-(6-aminohexyl)-N-[1-(4-keto-1H-quinazolin-2-yl)ethyl]-3-nitro-benzamide Formula: C23H27N5O4 MolecularWeight: 437.49158

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4/c1-16(21-25-20-12-5-4-11-19(20)22(29)26-21)27(14-7-3-2-6-13-24)23(30)17-9-8-10-18(15-17)28(31)32/h4-5,8-12,15-16H,2-3,6-7,13-14,24H2,1H3,(H,25,26,29)