methyl 3-butyl-4-[3-[(5-chloranyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]benzoate

Systemtic Name: methyl 3-butyl-4-[3-[(5-chloranyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]benzoate Openeye Name: methyl 3-butyl-4-[3-[(5-chloro-1-ethyl-6-oxo-pyridazin-4-yl)amino]propoxy]benzoate CAS Name: 3-butyl-4-[3-[(5-chloro-1-ethyl-6-oxo-4-pyridazinyl)amino]propoxy]benzoic acid methyl ester IUPAC Name: methyl 3-butyl-4-[3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propoxy]benzoate Traditional Name: 3-butyl-4-[3-[(5-chloro-1-ethyl-6-keto-pyridazin-4-yl)amino]propoxy]benzoic acid methyl ester Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(=O)OC)OCCCNC2=C(C(=O)N(N=C2)CC)Cl

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(=O)OC)OCCCNC2=C(C(=O)N(N=C2)CC)Cl

InChI

InChI=1S/C21H28ClN3O4/c1-4-6-8-15-13-16(21(27)28-3)9-10-18(15)29-12-7-11-23-17-14-24-25(5-2)20(26)19(17)22/h9-10,13-14,23H,4-8,11-12H2,1-3H3