4-(6,7-dimethoxyisoquinolin-1-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyisoquinolin-1-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxy-1-isoquinolyl)-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-1-isoquinolinyl)-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyisoquinolin-1-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxy-1-isoquinolyl)-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C22H23N5O5 MolecularWeight: 437.44852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N5O5/c1-31-19-13-15-7-8-23-21(18(15)14-20(19)32-2)25-9-11-26(12-10-25)22(28)24-16-3-5-17(6-4-16)27(29)30/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)