ethyl 2-[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]-2-phenyl-ethanoate Openeye Name: ethyl 2-[(6-nitro-7-piperazin-1-yl-quinazolin-2-yl)amino]-2-phenyl-acetate CAS Name: 2-[[6-nitro-7-(1-piperazinyl)-2-quinazolinyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[(6-nitro-7-piperazin-1-ylquinazolin-2-yl)amino]-2-phenylacetate Traditional Name: 2-[(6-nitro-7-piperazino-quinazolin-2-yl)amino]-2-phenyl-acetic acid ethyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4

InChI

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