4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-keto-butyramide Formula: C25H32N3O4+ MolecularWeight: 438.53928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H31N3O4/c1-2-27-12-14-28(15-13-27)21-7-5-20(6-8-21)26-25(30)11-9-22(29)19-4-10-23-24(18-19)32-17-3-16-31-23/h4-8,10,18H,2-3,9,11-17H2,1H3,(H,26,30)/p+1