2-methyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 4-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C24H28N4O2/c1-17(2)19-10-8-18(9-11-19)16-27-12-14-28(15-13-27)24(30)22-20-6-4-5-7-21(20)23(29)26(3)25-22/h4-11,17H,12-16H2,1-3H3/p+1