methyl 3,5-bis(oxidanylidene)-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-7-carboxylate

Systemtic Name: methyl 3,5-bis(oxidanylidene)-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-7-carboxylate Openeye Name: methyl 3,5-dioxo-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-7-carboxylate CAS Name: 3,5-dioxo-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 3,5-dioxo-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-7-carboxylate Traditional Name: 3,5-diketo-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-7-carboxylic acid methyl ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H28N4O5/c1-32-24(31)18-7-8-20-19(16-18)23(30)28(22(29)17-33-20)11-5-4-10-26-12-14-27(15-13-26)21-6-2-3-9-25-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3