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

Systemtic Name: N-methyl-1-oxidanylidene-3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-methyl-1-oxo-3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isochromane-6-carboxamide CAS Name: N-methyl-1-oxo-3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-methyl-1-oxo-3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydroisochromene-6-carboxamide Traditional Name: 1-keto-N-methyl-3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isochroman-6-carboxamide Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-18(19-8-11-23(12-9-19)31-17-28-16-29-31)30(2)26(32)21-10-13-24-22(14-21)15-25(34-27(24)33)20-6-4-3-5-7-20/h3-14,16-18,25H,15H2,1-2H3