1-oxidanylidene-3-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,4-dihydroisochromene-6-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3/c31-26(28-14-13-19-17-29-30(18-19)23-9-5-2-6-10-23)21-11-12-24-22(15-21)16-25(33-27(24)32)20-7-3-1-4-8-20/h1-12,15,17-18,25H,13-14,16H2,(H,28,31)