3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1-[(4-nitrophenyl)methyl]quinazoline-2,4-dione

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1-[(4-nitrophenyl)methyl]quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-1-[(4-nitrophenyl)methyl]quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-6-nitro-1-[(4-nitrophenyl)methyl]quinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1-[(4-nitrophenyl)methyl]quinazoline-2,4-dione Traditional Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-1-(4-nitrobenzyl)quinazoline-2,4-quinone Formula: C30H27N7O8 MolecularWeight: 613.57748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])N(C4=O)CC6=CC=C(C=C6)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)N4C(=O)C5=C(C=CC(=C5)[N+](=O)[O-])N(C4=O)CC6=CC=C(C=C6)[N+](=O)[O-])OC

InChI

InChI=1S/C30H27N7O8/c1-44-26-14-22-24(15-27(26)45-2)31-17-32-28(22)33-11-9-19(10-12-33)35-29(38)23-13-21(37(42)43)7-8-25(23)34(30(35)39)16-18-3-5-20(6-4-18)36(40)41/h3-8,13-15,17,19H,9-12,16H2,1-2H3