N-(3-chloranyl-4-fluoranyl-phenyl)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]-6-nitro-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]-6-nitro-quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-[3-methyl-3-(4-methyl-1-piperazinyl)but-1-ynyl]-6-nitro-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]-6-nitroquinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[7-[3-methyl-3-(4-methylpiperazino)but-1-ynyl]-6-nitro-quinazolin-4-yl]amine Formula: C24H24ClFN6O2 MolecularWeight: 482.937763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1[N+](=O)[O-])C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1[N+](=O)[O-])C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C

InChI

InChI=1S/C24H24ClFN6O2/c1-24(2,31-10-8-30(3)9-11-31)7-6-16-12-21-18(14-22(16)32(33)34)23(28-15-27-21)29-17-4-5-20(26)19(25)13-17/h4-5,12-15H,8-11H2,1-3H3,(H,27,28,29)