ethyl 4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)amino]methyl]benzoate CAS Name: 4-[[[6-nitro-7-(1-piperazinyl)-4-quinazolinyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(6-nitro-7-piperazin-1-ylquinazolin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(6-nitro-7-piperazino-quinazolin-4-yl)amino]methyl]benzoic acid ethyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C22H24N6O4/c1-2-32-22(29)16-5-3-15(4-6-16)13-24-21-17-11-20(28(30)31)19(12-18(17)25-14-26-21)27-9-7-23-8-10-27/h3-6,11-12,14,23H,2,7-10,13H2,1H3,(H,24,25,26)