6-[3,4-bis(chloranyl)phenoxy]-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-7-one

Systemtic Name: 6-[3,4-bis(chloranyl)phenoxy]-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-7-one Openeye Name: 6-(3,4-dichlorophenoxy)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-7-one CAS Name: 6-(3,4-dichlorophenoxy)-1-[1-phenyl-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-2H-azepin-7-one IUPAC Name: 6-(3,4-dichlorophenoxy)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-5,6-dihydro-2H-azepin-7-one Traditional Name: 6-(3,4-dichlorophenoxy)-1-(1-phenyl-2-pyrrolidino-ethyl)-5,6-dihydro-2H-azepin-7-one Formula: C24H26Cl2N2O2 MolecularWeight: 445.38144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(C2=CC=CC=C2)N3CC=CCC(C3=O)OC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)CC(C2=CC=CC=C2)N3CC=CCC(C3=O)OC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H26Cl2N2O2/c25-20-12-11-19(16-21(20)26)30-23-10-4-5-15-28(24(23)29)22(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,22-23H,6-7,10,13-15,17H2