2-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[methyl-[[4-(1-piperidyl)phenyl]methyl]amino]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[methyl-[[4-(1-piperidinyl)phenyl]methyl]amino]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[methyl-(4-piperidinobenzyl)amino]methyl]-4-phenyl-phthalazin-1-one Formula: C28H30N4O MolecularWeight: 438.564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O/c1-30(20-22-14-16-24(17-15-22)31-18-8-3-9-19-31)21-32-28(33)26-13-7-6-12-25(26)27(29-32)23-10-4-2-5-11-23/h2,4-7,10-17H,3,8-9,18-21H2,1H3