4-[4-[4-(4-ethanoylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-[4-(4-ethanoylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-(4-acetylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(4-acetylphenyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-[4-(4-acetylphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-(4-acetylphenyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCN3C(=O)COC4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCN3C(=O)COC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N3O4/c1-19(29)20-8-10-21(11-9-20)27-16-14-26(15-17-27)12-4-5-13-28-24(30)18-32-23-7-3-2-6-22(23)25(28)31/h2-3,6-11H,4-5,12-18H2,1H3