3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 3-[4-(2-pyrimidyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)C(=O)N2CC1

InChI

InChI=1S/C22H24N6O2/c29-20(26-11-13-27(14-12-26)22-23-8-4-9-24-22)16-6-7-17-18(15-16)25-19-5-2-1-3-10-28(19)21(17)30/h4,6-9,15H,1-3,5,10-14H2