5-(dimethylamino)-2-[2-oxidanylidene-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]pyridazin-3-one

Systemtic Name: 5-(dimethylamino)-2-[2-oxidanylidene-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]pyridazin-3-one Openeye Name: 5-(dimethylamino)-2-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]pyridazin-3-one CAS Name: 5-(dimethylamino)-2-[2-oxo-2-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]ethyl]-3-pyridazinone IUPAC Name: 5-(dimethylamino)-2-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]pyridazin-3-one Traditional Name: 5-(dimethylamino)-2-[2-keto-2-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]ethyl]pyridazin-3-one Formula: C17H23N7O2 MolecularWeight: 357.41022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=O)N(N=C1)CC(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(C)C1=CC(=O)N(N=C1)CC(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H23N7O2/c1-21(2)14-11-15(25)24(20-12-14)13-16(26)22-7-4-8-23(10-9-22)17-18-5-3-6-19-17/h3,5-6,11-12H,4,7-10,13H2,1-2H3