4-bromanyl-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidino]-3-keto-propyl]benzamide Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4/c1-28-17-9-10-18(20(14-17)29-2)19-4-3-13-25(19)21(26)11-12-24-22(27)15-5-7-16(23)8-6-15/h5-10,14,19H,3-4,11-13H2,1-2H3,(H,24,27)