4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C22H24N6O5 MolecularWeight: 452.46316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N6O5/c1-32-19-12-17-18(13-20(19)33-2)23-14-24-21(17)26-8-3-9-27(11-10-26)22(29)25-15-4-6-16(7-5-15)28(30)31/h4-7,12-14H,3,8-11H2,1-2H3,(H,25,29)