7-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-6-nitro-quinazolin-4-amine

Systemtic Name: 7-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-6-nitro-quinazolin-4-amine Openeye Name: 7-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-6-nitro-quinazolin-4-amine CAS Name: 7-(4-ethyl-1-piperazinyl)-N-[(4-fluorophenyl)methyl]-6-nitro-4-quinazolinamine IUPAC Name: 7-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-6-nitroquinazolin-4-amine Traditional Name: [7-(4-ethylpiperazino)-6-nitro-quinazolin-4-yl]-(4-fluorobenzyl)amine Formula: C21H23FN6O2 MolecularWeight: 410.444723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN6O2/c1-2-26-7-9-27(10-8-26)19-12-18-17(11-20(19)28(29)30)21(25-14-24-18)23-13-15-3-5-16(22)6-4-15/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,23,24,25)