tert-butyl 5-[2-(pyridin-4-ylmethylcarbamoyl)pyridin-4-yl]-1H-indole-2-carboxylate

Systemtic Name: tert-butyl 5-[2-(pyridin-4-ylmethylcarbamoyl)pyridin-4-yl]-1H-indole-2-carboxylate Openeye Name: tert-butyl 5-[2-(4-pyridylmethylcarbamoyl)-4-pyridyl]-1H-indole-2-carboxylate CAS Name: 5-[2-[oxo-(pyridin-4-ylmethylamino)methyl]-4-pyridinyl]-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[2-(pyridin-4-ylmethylcarbamoyl)pyridin-4-yl]-1H-indole-2-carboxylate Traditional Name: 5-[2-(4-pyridylmethylcarbamoyl)-4-pyridyl]-1H-indole-2-carboxylic acid tert-butyl ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC(=NC=C3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC(=NC=C3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C25H24N4O3/c1-25(2,3)32-24(31)22-14-19-12-17(4-5-20(19)29-22)18-8-11-27-21(13-18)23(30)28-15-16-6-9-26-10-7-16/h4-14,29H,15H2,1-3H3,(H,28,30)