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

Systemtic Name: 8-methyl-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 8-methyl-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepine-3,5-dione CAS Name: 8-methyl-4-[5-[4-(2-pyrimidinyl)-1-piperazinyl]pentyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 8-methyl-4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 8-methyl-4-[5-[4-(2-pyrimidyl)piperazino]pentyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=O)CO2)CCCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=O)CO2)CCCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H29N5O3/c1-18-6-7-19-20(16-18)31-17-21(29)28(22(19)30)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