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

Systemtic Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-[(4-methoxyphenyl)methyl]-6-nitro-quinazoline-2,4-dione Openeye Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-1-[(4-methoxyphenyl)methyl]-6-nitro-quinazoline-2,4-dione CAS Name: 3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-1-[(4-methoxyphenyl)methyl]-6-nitroquinazoline-2,4-dione IUPAC Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1-[(4-methoxyphenyl)methyl]-6-nitroquinazoline-2,4-dione Traditional Name: 3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-6-nitro-1-p-anisyl-quinazoline-2,4-quinone Formula: C31H30N6O7 MolecularWeight: 598.6059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4CCN(CC4)C5=NC=NC6=CC(=C(C=C65)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4CCN(CC4)C5=NC=NC6=CC(=C(C=C65)OC)OC

InChI

InChI=1S/C31H30N6O7/c1-42-22-7-4-19(5-8-22)17-35-26-9-6-21(37(40)41)14-24(26)30(38)36(31(35)39)20-10-12-34(13-11-20)29-23-15-27(43-2)28(44-3)16-25(23)32-18-33-29/h4-9,14-16,18,20H,10-13,17H2,1-3H3