3,6-dimethyl-1-oxidanylidene-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]-4H-isochromene-3-carboxamide

Systemtic Name: 3,6-dimethyl-1-oxidanylidene-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]-4H-isochromene-3-carboxamide Openeye Name: 3,6-dimethyl-1-oxo-N-[3-(tetrazol-1-yl)phenyl]isochromane-3-carboxamide CAS Name: 3,6-dimethyl-1-oxo-N-[3-(1-tetrazolyl)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3,6-dimethyl-1-oxo-N-[3-(tetrazol-1-yl)phenyl]-4H-isochromene-3-carboxamide Traditional Name: 1-keto-3,6-dimethyl-N-[3-(tetrazol-1-yl)phenyl]isochroman-3-carboxamide Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC(=C3)N4C=NN=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC(=C3)N4C=NN=N4

InChI

InChI=1S/C19H17N5O3/c1-12-6-7-16-13(8-12)10-19(2,27-17(16)25)18(26)21-14-4-3-5-15(9-14)24-11-20-22-23-24/h3-9,11H,10H2,1-2H3,(H,21,26)