(4-pyrazol-1-ylphenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H19N3O4/c26-20(29-15-16-8-10-17(11-9-16)25-14-4-12-23-25)7-3-13-24-21(27)18-5-1-2-6-19(18)22(24)28/h1-2,4-6,8-12,14H,3,7,13,15H2