methyl 2-[5-chloranyl-4-[[1-(dimethylamino)cycloheptyl]methylamino]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[[1-(dimethylamino)cycloheptyl]methylamino]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[[1-(dimethylamino)cycloheptyl]methylamino]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[[1-(dimethylamino)cycloheptyl]methylamino]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[[1-(dimethylamino)cycloheptyl]methylamino]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-[[1-(dimethylamino)cycloheptyl]methylamino]-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C22H29ClN4O3/c1-26(2)22(12-8-4-5-9-13-22)15-24-17-14-25-27(20(28)19(17)23)18-11-7-6-10-16(18)21(29)30-3/h6-7,10-11,14,24H,4-5,8-9,12-13,15H2,1-3H3