benzoic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrazine-2-carboxamide

Systemtic Name: benzoic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrazine-2-carboxamide Openeye Name: benzoic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrazine-2-carboxamide CAS Name: benzoic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-pyrazinecarboxamide IUPAC Name: benzoic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrazine-2-carboxamide Traditional Name: benzoic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrazinamide Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCC2=C(C1)C3=C(O2)C=CC(=C3)NC(=O)C4=NC=CN=C4.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN(C)C1CCC2=C(C1)C3=C(O2)C=CC(=C3)NC(=O)C4=NC=CN=C4.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C19H20N4O2.C7H6O2/c1-23(2)13-4-6-18-15(10-13)14-9-12(3-5-17(14)25-18)22-19(24)16-11-20-7-8-21-16;8-7(9)6-4-2-1-3-5-6/h3,5,7-9,11,13H,4,6,10H2,1-2H3,(H,22,24);1-5H,(H,8,9)