6-(4-cyclopentylpiperazin-4-ium-1-yl)carbonyl-2-(3-methylphenyl)-1,4-dihydropyridazin-3-one

Systemtic Name: 6-(4-cyclopentylpiperazin-4-ium-1-yl)carbonyl-2-(3-methylphenyl)-1,4-dihydropyridazin-3-one Openeye Name: 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-(m-tolyl)-1,4-dihydropyridazin-3-one CAS Name: 6-[(4-cyclopentyl-1-piperazin-4-iumyl)-oxomethyl]-2-(3-methylphenyl)-1,4-dihydropyridazin-3-one IUPAC Name: 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-(3-methylphenyl)-1,4-dihydropyridazin-3-one Traditional Name: 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-(m-tolyl)-1,4-dihydropyridazin-3-one Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)C4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C21H28N4O2/c1-16-5-4-8-18(15-16)25-20(26)10-9-19(22-25)21(27)24-13-11-23(12-14-24)17-6-2-3-7-17/h4-5,8-9,15,17,22H,2-3,6-7,10-14H2,1H3/p+1