ethyl 4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate

Systemtic Name: ethyl 4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate Openeye Name: ethyl 4-[3-[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate CAS Name: 4-[3-[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]propoxy]-3-propylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]propoxy]-3-propylbenzoate Traditional Name: 4-[3-[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid ethyl ester Formula: C22H30ClN3O4 MolecularWeight: 435.9443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OCC)OCCCNC2=C(C(=O)N(N=C2)C(C)C)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OCC)OCCCNC2=C(C(=O)N(N=C2)C(C)C)Cl

InChI

InChI=1S/C22H30ClN3O4/c1-5-8-16-13-17(22(28)29-6-2)9-10-19(16)30-12-7-11-24-18-14-25-26(15(3)4)21(27)20(18)23/h9-10,13-15,24H,5-8,11-12H2,1-4H3