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

Systemtic Name: 2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-(o-tolylmethyl)piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-(2-methylbenzyl)piperazino]methyl]-4-phenyl-phthalazin-1-one Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-21-9-5-6-12-23(21)19-29-15-17-30(18-16-29)20-31-27(32)25-14-8-7-13-24(25)26(28-31)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3