(3S)-N-methyl-1-oxidanylidene-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-methyl-1-oxidanylidene-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-methyl-1-oxo-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]isochromane-6-carboxamide CAS Name: (3S)-N-methyl-1-oxo-3-phenyl-N-[(1-phenyl-4-pyrazolyl)methyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-methyl-1-oxo-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]isochroman-6-carboxamide Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3/c1-29(17-19-16-28-30(18-19)23-10-6-3-7-11-23)26(31)21-12-13-24-22(14-21)15-25(33-27(24)32)20-8-4-2-5-9-20/h2-14,16,18,25H,15,17H2,1H3/t25-/m0/s1