6-chloranyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(pyrrolidine-1-carbonyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H23ClN2O4/c23-18-12-17(13-19-20(18)29-11-3-10-28-19)21(26)24-14-15-4-6-16(7-5-15)22(27)25-8-1-2-9-25/h4-7,12-13H,1-3,8-11,14H2,(H,24,26)