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

Systemtic Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[(4-p-anisylpiperazino)methyl]phthalazine-1-carboxamide Formula: C23H27N5O3 MolecularWeight: 421.49218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N5O3/c1-24-22(29)21-19-5-3-4-6-20(19)23(30)28(25-21)16-27-13-11-26(12-14-27)15-17-7-9-18(31-2)10-8-17/h3-10H,11-16H2,1-2H3,(H,24,29)