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

Systemtic Name: 6-chloranyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[4-(3-oxopiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-(3-oxo-1-piperazinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[4-(3-oxopiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(3-ketopiperazino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4)Cl)OC1

InChI

InChI=1S/C20H20ClN3O4/c21-16-10-13(11-17-19(16)28-9-1-8-27-17)20(26)23-14-2-4-15(5-3-14)24-7-6-22-18(25)12-24/h2-5,10-11H,1,6-9,12H2,(H,22,25)(H,23,26)