N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-keto-N-methyl-isochroman-3-carboxamide Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C27H23N3O3/c1-29(26(31)24-16-20-12-8-9-15-23(20)27(32)33-24)17-21-18-30(22-13-6-3-7-14-22)28-25(21)19-10-4-2-5-11-19/h2-15,18,24H,16-17H2,1H3