N-(3-chloranyl-4-fluoranyl-phenyl)-7-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]-6-nitro-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-7-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]-6-nitro-quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]-6-nitro-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]-6-nitroquinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[7-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]-6-nitro-quinazolin-4-yl]amine Formula: C23H26ClFN6O3 MolecularWeight: 488.942343

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H26ClFN6O3/c1-29-6-2-7-30(10-9-29)8-3-11-34-22-14-20-17(13-21(22)31(32)33)23(27-15-26-20)28-16-4-5-19(25)18(24)12-16/h4-5,12-15H,2-3,6-11H2,1H3,(H,26,27,28)