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

Systemtic Name: 8-methoxy-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 8-methoxy-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 8-methoxy-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 8-methoxy-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 8-methoxy-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=O)CO2)CCCCN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=O)CO2)CCCCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H28N4O4/c1-30-18-7-8-19-20(16-18)31-17-22(28)27(23(19)29)11-5-4-10-25-12-14-26(15-13-25)21-6-2-3-9-24-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3