methyl 2-[5-chloranyl-4-[4-(diphenylmethyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[5-chloranyl-4-[4-(diphenylmethyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(4-benzhydrylpiperazin-1-yl)-5-chloro-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-chloro-4-[4-(diphenylmethyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-benzhydrylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[4-(4-benzhydrylpiperazino)-5-chloro-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C24H25ClN4O3 MolecularWeight: 452.9333

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H25ClN4O3/c1-32-21(30)17-29-24(31)22(25)20(16-26-29)27-12-14-28(15-13-27)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,23H,12-15,17H2,1H3