6-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-1,4-dihydropyridazin-3-one

Systemtic Name: 6-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-1,4-dihydropyridazin-3-one Openeye Name: 6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one CAS Name: 6-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenyl-1,4-dihydropyridazin-3-one IUPAC Name: 6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one Traditional Name: 6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4O2/c26-20-12-11-19(22-25(20)18-9-5-2-6-10-18)21(27)24-15-13-23(14-16-24)17-7-3-1-4-8-17/h2,5-6,9-11,17,22H,1,3-4,7-8,12-16H2/p+1