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

Systemtic Name: ethyl 2-[5-chloranyl-4-[4-(diphenylmethyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O3/c1-2-33-22(31)18-30-25(32)23(26)21(17-27-30)28-13-15-29(16-14-28)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,24H,2,13-16,18H2,1H3