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

Systemtic Name: 4-[4-[4-(3-azanylpyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-(3-amino-2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(3-amino-2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-[4-(3-aminopyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-(3-amino-2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=C(C=CC=N4)N

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=C(C=CC=N4)N

InChI

InChI=1S/C22H27N5O3/c23-18-7-5-9-24-21(18)26-14-12-25(13-15-26)10-3-4-11-27-20(28)16-30-19-8-2-1-6-17(19)22(27)29/h1-2,5-9H,3-4,10-16,23H2