4-chloranyl-5-[2-methoxy-4-[(prop-2-enylamino)methyl]phenoxy]-2-phenyl-pyridazin-3-one hydrochloride

Systemtic Name: 4-chloranyl-5-[2-methoxy-4-[(prop-2-enylamino)methyl]phenoxy]-2-phenyl-pyridazin-3-one hydrochloride Openeye Name: 5-[4-[(allylamino)methyl]-2-methoxy-phenoxy]-4-chloro-2-phenyl-pyridazin-3-one hydrochloride CAS Name: 4-chloro-5-[2-methoxy-4-[(prop-2-enylamino)methyl]phenoxy]-2-phenyl-3-pyridazinone hydrochloride IUPAC Name: 4-chloro-5-[2-methoxy-4-[(prop-2-enylamino)methyl]phenoxy]-2-phenylpyridazin-3-one hydrochloride Traditional Name: 5-[4-[(allylamino)methyl]-2-methoxy-phenoxy]-4-chloro-2-phenyl-pyridazin-3-one hydrochloride Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC=C)OC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC=C)OC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl.Cl

InChI

InChI=1S/C21H20ClN3O3.ClH/c1-3-11-23-13-15-9-10-17(18(12-15)27-2)28-19-14-24-25(21(26)20(19)22)16-7-5-4-6-8-16;/h3-10,12,14,23H,1,11,13H2,2H3;1H