N-[2-(dimethylamino)-5aH-cyclohepta[b][1]benzofuran-9-yl]-1H-imidazole-2-carboxamide; propanedioic acid

Systemtic Name: N-[2-(dimethylamino)-5aH-cyclohepta[b][1]benzofuran-9-yl]-1H-imidazole-2-carboxamide; propanedioic acid Openeye Name: N-[2-(dimethylamino)-5aH-cyclohepta[b]benzofuran-9-yl]-1H-imidazole-2-carboxamide; malonic acid CAS Name: N-[2-(dimethylamino)-5aH-cyclohepta[b]benzofuran-9-yl]-1H-imidazole-2-carboxamide; propanedioic acid IUPAC Name: N-[2-(dimethylamino)-5aH-cyclohepta[b][1]benzofuran-9-yl]-1H-imidazole-2-carboxamide; propanedioic acid Traditional Name: N-[2-(dimethylamino)-5aH-cyclohepta[b]benzofuran-9-yl]-1H-imidazole-2-carboxamide; malonic acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)OC3C2=CC(=CC=C3)NC(=O)C4=NC=CN4.C(C(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)OC3C2=CC(=CC=C3)NC(=O)C4=NC=CN4.C(C(=O)O)C(=O)O

InChI

InChI=1S/C19H18N4O2.C3H4O4/c1-23(2)13-6-7-17-15(11-13)14-10-12(4-3-5-16(14)25-17)22-19(24)18-20-8-9-21-18;4-2(5)1-3(6)7/h3-11,16H,1-2H3,(H,20,21)(H,22,24);1H2,(H,4,5)(H,6,7)