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

Systemtic Name: 1-oxidanylidene-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydroisochromene-3-carboxamide Openeye Name: 1-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isochromane-3-carboxamide CAS Name: 1-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 1-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isochroman-3-carboxamide Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H18N4O3/c1-13(14-6-8-16(9-7-14)24-12-21-11-22-24)23-19(25)18-10-15-4-2-3-5-17(15)20(26)27-18/h2-9,11-13,18H,10H2,1H3,(H,23,25)