tert-butyl 5-cyano-3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)-2-oxidanylidene-imidazole-1-carboxylate

Systemtic Name: tert-butyl 5-cyano-3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)-2-oxidanylidene-imidazole-1-carboxylate Openeye Name: tert-butyl 5-cyano-3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)-2-oxo-imidazole-1-carboxylate CAS Name: 5-cyano-3-(1H-indol-3-yl)-4-(1-methyl-3-indolyl)-2-oxo-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyano-3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)-2-oxoimidazole-1-carboxylate Traditional Name: 5-cyano-3-(1H-indol-3-yl)-2-keto-4-(1-methylindol-3-yl)-4-imidazoline-1-carboxylic acid tert-butyl ester Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=C(N(C1=O)C2=CNC3=CC=CC=C32)C4=CN(C5=CC=CC=C54)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=C(N(C1=O)C2=CNC3=CC=CC=C32)C4=CN(C5=CC=CC=C54)C)C#N

InChI

InChI=1S/C26H23N5O3/c1-26(2,3)34-25(33)31-21(13-27)23(18-15-29(4)20-12-8-6-9-16(18)20)30(24(31)32)22-14-28-19-11-7-5-10-17(19)22/h5-12,14-15,28H,1-4H3