4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 2-isobutyl-4-[4-(m-tolylmethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 2-isobutyl-4-[4-(3-methylbenzyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

InChI

InChI=1S/C25H30N4O2/c1-18(2)16-29-24(30)22-10-5-4-9-21(22)23(26-29)25(31)28-13-11-27(12-14-28)17-20-8-6-7-19(3)15-20/h4-10,15,18H,11-14,16-17H2,1-3H3