4-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)CCCCN3C(=O)COC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)CCCCN3C(=O)COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H27N5O4/c1-30-19-8-9-23-22(24-19)26-14-12-25(13-15-26)10-4-5-11-27-20(28)16-31-18-7-3-2-6-17(18)21(27)29/h2-3,6-9H,4-5,10-16H2,1H3