2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-3H-isoindol-1-one

Systemtic Name: 2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-3H-isoindol-1-one Openeye Name: 2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]isoindolin-1-one CAS Name: 2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-3H-isoindol-1-one IUPAC Name: 2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-3H-isoindol-1-one Traditional Name: 2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]isoindolin-1-one Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H17N3OS/c26-22-19-10-5-4-7-16(19)13-24(22)14-17-15-25(18-8-2-1-3-9-18)23-21(17)20-11-6-12-27-20/h1-12,15H,13-14H2