2-(5-bromanyl-2-phenylmethoxy-phenyl)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-2-carbonitrile

Systemtic Name: 2-(5-bromanyl-2-phenylmethoxy-phenyl)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-2-carbonitrile Openeye Name: 2-(2-benzyloxy-5-bromo-phenyl)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-2-carbonitrile CAS Name: 2-(5-bromo-2-phenylmethoxyphenyl)-1-(2-methoxyphenyl)-5-oxo-2-pyrrolidinecarbonitrile IUPAC Name: 2-(5-bromo-2-phenylmethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile Traditional Name: 2-(2-benzoxy-5-bromo-phenyl)-5-keto-1-(2-methoxyphenyl)pyrrolidine-2-carbonitrile Formula: C25H21BrN2O3 MolecularWeight: 477.34984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)CCC2(C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)CCC2(C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21BrN2O3/c1-30-23-10-6-5-9-21(23)28-24(29)13-14-25(28,17-27)20-15-19(26)11-12-22(20)31-16-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3