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

Systemtic Name: 7-(1,4-diazepan-1-yl)-N-[(4-fluorophenyl)methyl]-6-nitro-quinazolin-4-amine Openeye Name: 7-(1,4-diazepan-1-yl)-N-[(4-fluorophenyl)methyl]-6-nitro-quinazolin-4-amine CAS Name: 7-(1,4-diazepan-1-yl)-N-[(4-fluorophenyl)methyl]-6-nitro-4-quinazolinamine IUPAC Name: 7-(1,4-diazepan-1-yl)-N-[(4-fluorophenyl)methyl]-6-nitroquinazolin-4-amine Traditional Name: [7-(1,4-diazepan-1-yl)-6-nitro-quinazolin-4-yl]-(4-fluorobenzyl)amine Formula: C20H21FN6O2 MolecularWeight: 396.418143

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN6O2/c21-15-4-2-14(3-5-15)12-23-20-16-10-19(27(28)29)18(11-17(16)24-13-25-20)26-8-1-6-22-7-9-26/h2-5,10-11,13,22H,1,6-9,12H2,(H,23,24,25)