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

Systemtic Name: 6-chloranyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(isopropylcarbamoylamino)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H24ClN3O4/c1-13(2)24-21(27)25-16-6-4-14(5-7-16)12-23-20(26)15-10-17(22)19-18(11-15)28-8-3-9-29-19/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,23,26)(H2,24,25,27)