(1-cyanoindolizin-2-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C24H20N4O4/c1-27-14-19(23(26-27)16-6-7-21-22(11-16)31-10-4-9-30-21)24(29)32-15-17-13-28-8-3-2-5-20(28)18(17)12-25/h2-3,5-8,11,13-14H,4,9-10,15H2,1H3