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

Systemtic Name: 3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 3-[4-(2-pyridyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 3-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 3-[4-(2-pyridyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C23H25N5O2 MolecularWeight: 403.4769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c29-22(27-14-12-26(13-15-27)20-6-3-4-10-24-20)17-8-9-18-19(16-17)25-21-7-2-1-5-11-28(21)23(18)30/h3-4,6,8-10,16H,1-2,5,7,11-15H2