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

Systemtic Name: 6-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 6-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 6-methoxy-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 6-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 6-methoxy-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)N(C(=O)CO2)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC2=C1C(=O)N(C(=O)CO2)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O4/c1-30-17-6-4-7-18-20(17)21(29)27(19(28)16-31-18)11-3-2-10-25-12-14-26(15-13-25)22-23-8-5-9-24-22/h4-9H,2-3,10-16H2,1H3