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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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