N-(6-azanylhexyl)-N-[1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]-3-nitro-benzamide

Systemtic Name: N-(6-azanylhexyl)-N-[1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]-3-nitro-benzamide Openeye Name: N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-3-nitro-benzamide CAS Name: N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxo-2-quinazolinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-nitrobenzamide Traditional Name: N-(6-aminohexyl)-N-[1-(7-chloro-4-keto-3-methyl-quinazolin-2-yl)ethyl]-3-nitro-benzamide Formula: C24H28ClN5O4 MolecularWeight: 485.96322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C)N(CCCCCCN)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C)N(CCCCCCN)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H28ClN5O4/c1-16(22-27-21-15-18(25)10-11-20(21)24(32)28(22)2)29(13-6-4-3-5-12-26)23(31)17-8-7-9-19(14-17)30(33)34/h7-11,14-16H,3-6,12-13,26H2,1-2H3