ethyl 4-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[[[7-(ethylamino)-6-nitro-4-quinazolinyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[[7-(ethylamino)-6-nitroquinazolin-4-yl]amino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H29N7O4 MolecularWeight: 479.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCN(CC4)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4CCN(CC4)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C24H29N7O4/c1-3-25-20-14-19-18(13-22(20)31(33)34)23(28-16-27-19)26-15-17-7-5-6-8-21(17)29-9-11-30(12-10-29)24(32)35-4-2/h5-8,13-14,16,25H,3-4,9-12,15H2,1-2H3,(H,26,27,28)