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

Systemtic Name: 6-chloranyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[4-(2-furylmethylcarbamoylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-[[(2-furanylmethylamino)-oxomethyl]amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(2-furfurylcarbamoylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC4=CC=CO4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC4=CC=CO4)Cl)OC1

InChI

InChI=1S/C22H20ClN3O5/c23-18-11-14(12-19-20(18)31-10-2-9-30-19)21(27)25-15-4-6-16(7-5-15)26-22(28)24-13-17-3-1-8-29-17/h1,3-8,11-12H,2,9-10,13H2,(H,25,27)(H2,24,26,28)