ethyl 3-oxidanylidene-4-(pentylcarbamoyl)-2-(pyridin-3-ylmethyl)indazole-1-carboxylate

Systemtic Name: ethyl 3-oxidanylidene-4-(pentylcarbamoyl)-2-(pyridin-3-ylmethyl)indazole-1-carboxylate Openeye Name: ethyl 3-oxo-4-(pentylcarbamoyl)-2-(3-pyridylmethyl)indazole-1-carboxylate CAS Name: 3-oxo-4-[oxo-(pentylamino)methyl]-2-(3-pyridinylmethyl)-1-indazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-(pentylcarbamoyl)-2-(pyridin-3-ylmethyl)indazole-1-carboxylate Traditional Name: 4-(amylcarbamoyl)-3-keto-2-(3-pyridylmethyl)indazoline-1-carboxylic acid ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C2C(=CC=C1)N(N(C2=O)CC3=CN=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCCNC(=O)C1=C2C(=CC=C1)N(N(C2=O)CC3=CN=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H26N4O4/c1-3-5-6-13-24-20(27)17-10-7-11-18-19(17)21(28)25(26(18)22(29)30-4-2)15-16-9-8-12-23-14-16/h7-12,14H,3-6,13,15H2,1-2H3,(H,24,27)