4-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(2-hydroxyphenyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-(2-hydroxyphenyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CC=CC=C4O

InChI

InChI=1S/C23H27N3O4/c27-20-9-3-2-8-19(20)25-15-13-24(14-16-25)11-5-6-12-26-22(28)17-30-21-10-4-1-7-18(21)23(26)29/h1-4,7-10,27H,5-6,11-17H2