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

Systemtic Name: 8-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 8-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 8-methoxy-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 8-methoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 8-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=CC2=C(C=C1)C(=O)N(C(=O)CO2)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

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

InChI

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