N4-[[2-(azepan-1-yl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-[[2-(azepan-1-yl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[2-(azepan-1-yl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[2-(1-azepanyl)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[2-(azepan-1-yl)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: [2-(azepan-1-yl)benzyl]-[7-(ethylamino)-6-nitro-quinazolin-4-yl]amine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O2/c1-2-24-20-14-19-18(13-22(20)29(30)31)23(27-16-26-19)25-15-17-9-5-6-10-21(17)28-11-7-3-4-8-12-28/h5-6,9-10,13-14,16,24H,2-4,7-8,11-12,15H2,1H3,(H,25,26,27)