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

Systemtic Name: 2-[(4-phenethylpiperazin-1-yl)methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[(4-phenethylpiperazin-1-yl)methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[(4-phenethyl-1-piperazinyl)methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[(4-phenethylpiperazin-1-yl)methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[(4-phenethylpiperazino)methyl]-4-phenyl-phthalazin-1-one Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c32-27-25-14-8-7-13-24(25)26(23-11-5-2-6-12-23)28-31(27)21-30-19-17-29(18-20-30)16-15-22-9-3-1-4-10-22/h1-14H,15-21H2