N-[4-(oxolan-2-ylcarbonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[4-(oxolan-2-ylcarbonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-(tetrahydrofuran-2-carbonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-[[oxo(2-oxolanyl)methyl]amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-(oxolane-2-carbonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(tetrahydrofuran-2-carbonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(OC1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N2O5/c24-20(14-4-9-17-19(13-14)28-12-2-11-26-17)22-15-5-7-16(8-6-15)23-21(25)18-3-1-10-27-18/h4-9,13,18H,1-3,10-12H2,(H,22,24)(H,23,25)