3-(1-methylpyrazol-4-yl)propyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: 3-(1-methylpyrazol-4-yl)propyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: 3-(1-methylpyrazol-4-yl)propyl 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid 3-(1-methyl-4-pyrazolyl)propyl ester IUPAC Name: 3-(1-methylpyrazol-4-yl)propyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid 3-(1-methylpyrazol-4-yl)propyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCCOC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CCCOC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4/c1-25-14-17(13-24-25)8-5-11-30-23(29)18-9-10-19-20(12-18)22(28)26(21(19)27)15-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14H,5,8,11,15H2,1H3