N-[(4-methylphenyl)methyl]-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide Openeye Name: 1-[4-(1-piperidyl)phthalazin-1-yl]-N-(p-tolylmethyl)piperidine-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[4-(1-piperidinyl)-1-phthalazinyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-(4-piperidinophthalazin-1-yl)isonipecotamide Formula: C27H33N5O MolecularWeight: 443.58382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C4=CC=CC=C43)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C4=CC=CC=C43)N5CCCCC5

InChI

InChI=1S/C27H33N5O/c1-20-9-11-21(12-10-20)19-28-27(33)22-13-17-32(18-14-22)26-24-8-4-3-7-23(24)25(29-30-26)31-15-5-2-6-16-31/h3-4,7-12,22H,2,5-6,13-19H2,1H3,(H,28,33)