(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C20H20ClN3O5/c21-17-12-14(13-18-19(17)29-11-1-10-28-18)20(25)23-8-6-22(7-9-23)15-2-4-16(5-3-15)24(26)27/h2-5,12-13H,1,6-11H2