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

Systemtic Name: 3-methyl-1-oxidanylidene-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4H-isochromene-3-carboxamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-1-oxo-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C28H25N3O3 MolecularWeight: 451.5164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3/c1-28(16-22-14-8-9-15-24(22)26(32)34-28)27(33)29-17-23-19-31(18-20-10-4-2-5-11-20)30-25(23)21-12-6-3-7-13-21/h2-15,19H,16-18H2,1H3,(H,29,33)