4-[7-(ethylamino)-6-nitro-quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[7-(ethylamino)-6-nitro-quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[7-(ethylamino)-6-nitro-quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[7-(ethylamino)-6-nitro-4-quinazolinyl]-N-(4-phenoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[7-(ethylamino)-6-nitroquinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[7-(ethylamino)-6-nitro-quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide Formula: C27H27N7O4 MolecularWeight: 513.54778

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H27N7O4/c1-2-28-24-17-23-22(16-25(24)34(36)37)26(30-18-29-23)32-12-14-33(15-13-32)27(35)31-19-8-10-21(11-9-19)38-20-6-4-3-5-7-20/h3-11,16-18,28H,2,12-15H2,1H3,(H,31,35)