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

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1-prop-2-enyl-quinazoline-2,4-dione Openeye Name: 1-allyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-6-nitro-1-prop-2-enylquinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1-prop-2-enylquinazoline-2,4-dione Traditional Name: 1-allyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-quinone Formula: C26H26N6O6 MolecularWeight: 518.52124

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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)CC=C)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)CC=C)OC

InChI

InChI=1S/C26H26N6O6/c1-4-9-30-21-6-5-17(32(35)36)12-19(21)25(33)31(26(30)34)16-7-10-29(11-8-16)24-18-13-22(37-2)23(38-3)14-20(18)27-15-28-24/h4-6,12-16H,1,7-11H2,2-3H3