ethyl 1-(4-bromophenyl)-5-(3,5-dicyano-4-phenylazanyl-pyridin-2-yl)oxy-2-methyl-indole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)-5-(3,5-dicyano-4-phenylazanyl-pyridin-2-yl)oxy-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-[(4-anilino-3,5-dicyano-2-pyridyl)oxy]-1-(4-bromophenyl)-2-methyl-indole-3-carboxylate CAS Name: 5-[(4-anilino-3,5-dicyano-2-pyridinyl)oxy]-1-(4-bromophenyl)-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-anilino-3,5-dicyanopyridin-2-yl)oxy-1-(4-bromophenyl)-2-methylindole-3-carboxylate Traditional Name: 5-[(4-anilino-3,5-dicyano-2-pyridyl)oxy]-1-(4-bromophenyl)-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C31H22BrN5O3 MolecularWeight: 592.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=C(C(=C3C#N)NC4=CC=CC=C4)C#N)C5=CC=C(C=C5)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=C(C(=C3C#N)NC4=CC=CC=C4)C#N)C5=CC=C(C=C5)Br)C

InChI

InChI=1S/C31H22BrN5O3/c1-3-39-31(38)28-19(2)37(23-11-9-21(32)10-12-23)27-14-13-24(15-25(27)28)40-30-26(17-34)29(20(16-33)18-35-30)36-22-7-5-4-6-8-22/h4-15,18H,3H2,1-2H3,(H,35,36)