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

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(m-tolylmethyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(3-methylbenzyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H26N4O2 MolecularWeight: 438.52094

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c1-20-8-7-9-21(18-20)19-29-14-16-30(17-15-29)27(33)25-23-12-5-6-13-24(23)26(32)31(28-25)22-10-3-2-4-11-22/h2-13,18H,14-17,19H2,1H3