3-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione CAS Name: 3-[[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-quinone Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=O)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=O)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H29N5O3/c31-23(29-15-13-28(14-16-29)22-7-3-4-12-26-22)19-10-8-18(9-11-19)17-30-24(32)20-5-1-2-6-21(20)27-25(30)33/h1-7,12,18-19H,8-11,13-17H2,(H,27,33)