1-oxidanylidene-3-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: 1-oxidanylidene-3-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydroisochromene-6-carboxamide Openeye Name: 1-oxo-3-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]isochromane-6-carboxamide CAS Name: 1-oxo-3-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: 1-oxo-3-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydroisochromene-6-carboxamide Traditional Name: 1-keto-3-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]isochroman-6-carboxamide Formula: C26H22N4O3 MolecularWeight: 438.47788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4)C5=CC=CC=C5

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3/c31-25(28-14-18-6-8-19(9-7-18)15-30-17-27-16-29-30)21-10-11-23-22(12-21)13-24(33-26(23)32)20-4-2-1-3-5-20/h1-12,16-17,24H,13-15H2,(H,28,31)