7-methoxy-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 7-methoxy-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 7-methoxy-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepine-3,5-dione CAS Name: 7-methoxy-4-[5-[4-(2-pyrimidinyl)-1-piperazinyl]pentyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 7-methoxy-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 7-methoxy-4-[5-[4-(2-pyrimidyl)piperazino]pentyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=O)N(C2=O)CCCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=O)N(C2=O)CCCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H29N5O4/c1-31-18-6-7-20-19(16-18)22(30)28(21(29)17-32-20)11-4-2-3-10-26-12-14-27(15-13-26)23-24-8-5-9-25-23/h5-9,16H,2-4,10-15,17H2,1H3