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

Systemtic Name: ethyl 4-[3-[(6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate Openeye Name: ethyl 4-[3-[(1-isopropyl-6-oxo-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate CAS Name: 4-[3-[(6-oxo-1-propan-2-yl-4-pyridazinyl)amino]propoxy]-3-propylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(6-oxo-1-propan-2-ylpyridazin-4-yl)amino]propoxy]-3-propylbenzoate Traditional Name: 4-[3-[(1-isopropyl-6-keto-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-5-8-17-13-18(22(27)28-6-2)9-10-20(17)29-12-7-11-23-19-14-21(26)25(16(3)4)24-15-19/h9-10,13-16,23H,5-8,11-12H2,1-4H3