[4-(4-bromanylpyrazol-1-yl)phenyl]-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

Systemtic Name: [4-(4-bromanylpyrazol-1-yl)phenyl]-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone Openeye Name: [4-(4-bromopyrazol-1-yl)phenyl]-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone CAS Name: [4-(4-bromo-1-pyrazolyl)phenyl]-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]methanone IUPAC Name: [4-(4-bromopyrazol-1-yl)phenyl]-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone Traditional Name: [4-(4-bromopyrazol-1-yl)phenyl]-[2-(2,5-dimethoxyphenyl)pyrrolidino]methanone Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC=C(C=C3)N4C=C(C=N4)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC=C(C=C3)N4C=C(C=N4)Br

InChI

InChI=1S/C22H22BrN3O3/c1-28-18-9-10-21(29-2)19(12-18)20-4-3-11-25(20)22(27)15-5-7-17(8-6-15)26-14-16(23)13-24-26/h5-10,12-14,20H,3-4,11H2,1-2H3