ethyl 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6-oxo-1-phenyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6-keto-1-phenyl-pyridazine-3-carboxylic acid ethyl ester Formula: C30H31N4O3+ MolecularWeight: 495.59214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H30N4O3/c1-2-37-30(36)28-26(22-27(35)34(31-28)25-16-10-5-11-17-25)32-18-20-33(21-19-32)29(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,22,29H,2,18-21H2,1H3/p+1