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

Systemtic Name: methyl 3,5-bis(oxidanylidene)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-7-carboxylate Openeye Name: methyl 3,5-dioxo-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-7-carboxylate CAS Name: 3,5-dioxo-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 3,5-dioxo-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-7-carboxylate Traditional Name: 3,5-diketo-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepine-7-carboxylic acid methyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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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=NC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5/c1-32-22(31)17-5-6-19-18(15-17)21(30)28(20(29)16-33-19)10-3-2-9-26-11-13-27(14-12-26)23-24-7-4-8-25-23/h4-8,15H,2-3,9-14,16H2,1H3