6-oxidanyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 6-oxidanyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 6-hydroxy-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 6-hydroxy-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 6-hydroxy-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 6-hydroxy-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C(=CC=C3)O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C(=CC=C3)O)C4=CC=CC=N4

InChI

InChI=1S/C22H26N4O4/c27-17-6-5-7-18-21(17)22(29)26(20(28)16-30-18)11-4-3-10-24-12-14-25(15-13-24)19-8-1-2-9-23-19/h1-2,5-9,27H,3-4,10-16H2