4-chloranyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-one CAS Name: 4-chloro-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-(homoveratrylamino)pyridazin-3-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H22ClN3O3/c1-27-18-9-8-15(12-19(18)28-2)10-11-23-17-13-24-25(21(26)20(17)22)14-16-6-4-3-5-7-16/h3-9,12-13,23H,10-11,14H2,1-2H3