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

Systemtic Name: 6-chloranyl-N-[3-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[3-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[3-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)Cl)OC1

InChI

InChI=1S/C20H19ClN2O4/c21-16-10-13(11-17-18(16)27-8-2-7-26-17)20(25)23-15-4-1-3-12(9-15)19(24)22-14-5-6-14/h1,3-4,9-11,14H,2,5-8H2,(H,22,24)(H,23,25)