(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(2-cyclopentyl-3-pyrazolyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-keto-isochroman-3-carboxamide Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)[C@@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C18H19N3O3/c22-17(15-11-12-5-1-4-8-14(12)18(23)24-15)20-16-9-10-19-21(16)13-6-2-3-7-13/h1,4-5,8-10,13,15H,2-3,6-7,11H2,(H,20,22)/t15-/m0/s1