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

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C28H30N5O2+ MolecularWeight: 468.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c1-29-27(34)25-23-14-8-9-15-24(23)28(35)33(30-25)20-31-16-18-32(19-17-31)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,26H,16-20H2,1H3,(H,29,34)/p+1