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

Systemtic Name: 8-chloranyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 8-chloro-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 8-chloro-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 8-chloro-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 8-chloro-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C=CC(=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C=CC(=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H24ClN5O3/c22-16-4-5-17-18(14-16)30-15-19(28)27(20(17)29)9-2-1-8-25-10-12-26(13-11-25)21-23-6-3-7-24-21/h3-7,14H,1-2,8-13,15H2