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

Systemtic Name: 6-chloranyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[4-(isopropylcarbamoylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(isopropylcarbamoylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4/c1-12(2)22-20(26)24-15-6-4-14(5-7-15)23-19(25)13-10-16(21)18-17(11-13)27-8-3-9-28-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,25)(H2,22,24,26)