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

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitro-1-(phenylmethyl)quinazoline-2,4-dione Openeye Name: 1-benzyl-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-(phenylmethyl)quinazoline-2,4-dione IUPAC Name: 1-benzyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-nitroquinazoline-2,4-dione Traditional Name: 1-benzyl-3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-quinazoline-2,4-quinone Formula: C30H28N6O6 MolecularWeight: 568.57992

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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=CC=C6)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=CC=C6)OC

InChI

InChI=1S/C30H28N6O6/c1-41-26-15-22-24(16-27(26)42-2)31-18-32-28(22)33-12-10-20(11-13-33)35-29(37)23-14-21(36(39)40)8-9-25(23)34(30(35)38)17-19-6-4-3-5-7-19/h3-9,14-16,18,20H,10-13,17H2,1-2H3