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

Systemtic Name: 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,4-benzoxazepine-3,5-quinone Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)COC3=CC=CC=C3C2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)COC3=CC=CC=C3C2=O)C4=NC=CC=N4

InChI

InChI=1S/C20H23N5O3/c26-18-15-28-17-6-2-1-5-16(17)19(27)25(18)10-4-9-23-11-13-24(14-12-23)20-21-7-3-8-22-20/h1-3,5-8H,4,9-15H2