1-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-2H-1,4-benzodiazepine-3,5-dione

Systemtic Name: 1-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-2H-1,4-benzodiazepine-3,5-dione Openeye Name: 1-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-2H-1,4-benzodiazepine-3,5-dione CAS Name: 1-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2H-1,4-benzodiazepine-3,5-dione IUPAC Name: 1-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-2H-1,4-benzodiazepine-3,5-dione Traditional Name: 1-methyl-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-2H-1,4-benzodiazepine-3,5-quinone Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C(=O)C2=CC=CC=C21)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1CC(=O)N(C(=O)C2=CC=CC=C21)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H28N6O2/c1-25-17-20(29)28(21(30)18-7-2-3-8-19(18)25)12-5-4-11-26-13-15-27(16-14-26)22-23-9-6-10-24-22/h2-3,6-10H,4-5,11-17H2,1H3