N-cyclohexyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-phthalazine-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-phthalazine-1-carboxamide Openeye Name: N-cyclohexyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-phthalazine-1-carboxamide CAS Name: N-cyclohexyl-4-[4-(3-methoxyphenyl)-1-piperazinyl]-N-methyl-1-phthalazinecarboxamide IUPAC Name: N-cyclohexyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylphthalazine-1-carboxamide Traditional Name: N-cyclohexyl-4-[4-(3-methoxyphenyl)piperazino]-N-methyl-phthalazine-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H33N5O2/c1-30(20-9-4-3-5-10-20)27(33)25-23-13-6-7-14-24(23)26(29-28-25)32-17-15-31(16-18-32)21-11-8-12-22(19-21)34-2/h6-8,11-14,19-20H,3-5,9-10,15-18H2,1-2H3