ethyl 5,6-diphenyl-3-[4-(phenylmethyl)piperazin-1-yl]pyridazine-4-carboxylate

Systemtic Name: ethyl 5,6-diphenyl-3-[4-(phenylmethyl)piperazin-1-yl]pyridazine-4-carboxylate Openeye Name: ethyl 3-(4-benzylpiperazin-1-yl)-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 5,6-diphenyl-3-[4-(phenylmethyl)-1-piperazinyl]-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-benzylpiperazin-1-yl)-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 3-(4-benzylpiperazino)-5,6-diphenyl-pyridazine-4-carboxylic acid ethyl ester Formula: C30H30N4O2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN=C1N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C(=NN=C1N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H30N4O2/c1-2-36-30(35)27-26(24-14-8-4-9-15-24)28(25-16-10-5-11-17-25)31-32-29(27)34-20-18-33(19-21-34)22-23-12-6-3-7-13-23/h3-17H,2,18-22H2,1H3