3-methyl-1-oxidanylidene-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-isochromene-3-carboxamide

Systemtic Name: 3-methyl-1-oxidanylidene-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-isochromene-3-carboxamide Openeye Name: 3-methyl-1-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]isochromane-3-carboxamide CAS Name: 3-methyl-1-oxo-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-1-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-isochromene-3-carboxamide Traditional Name: 1-keto-3-methyl-N-[4-(pyrazol-1-ylmethyl)benzyl]isochroman-3-carboxamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C22H21N3O3/c1-22(13-18-5-2-3-6-19(18)20(26)28-22)21(27)23-14-16-7-9-17(10-8-16)15-25-12-4-11-24-25/h2-12H,13-15H2,1H3,(H,23,27)