4-azanyl-6-methyl-5-(3-phenyl-1H-pyrazol-5-yl)-2-(2-piperidin-4-ylethyl)pyridazin-3-one

Systemtic Name: 4-azanyl-6-methyl-5-(3-phenyl-1H-pyrazol-5-yl)-2-(2-piperidin-4-ylethyl)pyridazin-3-one Openeye Name: 4-amino-6-methyl-5-(3-phenyl-1H-pyrazol-5-yl)-2-[2-(4-piperidyl)ethyl]pyridazin-3-one CAS Name: 4-amino-6-methyl-5-(3-phenyl-1H-pyrazol-5-yl)-2-[2-(4-piperidinyl)ethyl]-3-pyridazinone IUPAC Name: 4-amino-6-methyl-5-(3-phenyl-1H-pyrazol-5-yl)-2-(2-piperidin-4-ylethyl)pyridazin-3-one Traditional Name: 4-amino-6-methyl-5-(3-phenyl-1H-pyrazol-5-yl)-2-[2-(4-piperidyl)ethyl]pyridazin-3-one Formula: C21H26N6O MolecularWeight: 378.47074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C(=C1C2=CC(=NN2)C3=CC=CC=C3)N)CCC4CCNCC4

Isomeric SMILES

CC1=NN(C(=O)C(=C1C2=CC(=NN2)C3=CC=CC=C3)N)CCC4CCNCC4

InChI

InChI=1S/C21H26N6O/c1-14-19(18-13-17(24-25-18)16-5-3-2-4-6-16)20(22)21(28)27(26-14)12-9-15-7-10-23-11-8-15/h2-6,13,15,23H,7-12,22H2,1H3,(H,24,25)