3-[5-methyl-4-(4-phenethylpiperazin-1-yl)carbonyl-pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5-methyl-4-(4-phenethylpiperazin-1-yl)carbonyl-pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[5-methyl-4-(4-phenethylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[5-methyl-4-[oxo-(4-phenethyl-1-piperazinyl)methyl]-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[5-methyl-4-(4-phenethylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[5-methyl-4-(4-phenethylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O2/c1-16-18(15-22-27(16)19-7-8-20(28)24-23-19)21(29)26-13-11-25(12-14-26)10-9-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,24,28)