methyl 3-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: methyl 3-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: methyl 3-[(4-benzhydrylpiperazin-1-yl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-4-oxo-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzhydrylpiperazin-1-yl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(4-benzhydrylpiperazino)methyl]-4-keto-phthalazine-1-carboxylic acid methyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-35-28(34)25-23-14-8-9-15-24(23)27(33)32(29-25)20-30-16-18-31(19-17-30)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,26H,16-20H2,1H3