6-chloranyl-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(4-morpholinophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-(4-morpholinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(4-morpholinophenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C20H21ClN2O4/c21-17-12-14(13-18-19(17)27-9-1-8-26-18)20(24)22-15-2-4-16(5-3-15)23-6-10-25-11-7-23/h2-5,12-13H,1,6-11H2,(H,22,24)