N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(pyrrolidine-1-carbonyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c25-21(18-8-9-19-20(14-18)28-13-3-12-27-19)23-15-16-4-6-17(7-5-16)22(26)24-10-1-2-11-24/h4-9,14H,1-3,10-13,15H2,(H,23,25)