tert-butyl 3-[cyano-(5-isoquinolin-6-ylpyridin-3-yl)methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[cyano-(5-isoquinolin-6-ylpyridin-3-yl)methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[cyano-[5-(6-isoquinolyl)-3-pyridyl]methyl]indole-1-carboxylate CAS Name: 3-[cyano-[5-(6-isoquinolinyl)-3-pyridinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[cyano-(5-isoquinolin-6-ylpyridin-3-yl)methyl]indole-1-carboxylate Traditional Name: 3-[cyano-[5-(6-isoquinolyl)-3-pyridyl]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C29H24N4O2 MolecularWeight: 460.52646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(C#N)C3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(C#N)C3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C29H24N4O2/c1-29(2,3)35-28(34)33-18-26(24-6-4-5-7-27(24)33)25(14-30)23-13-22(16-32-17-23)19-8-9-21-15-31-11-10-20(21)12-19/h4-13,15-18,25H,1-3H3