4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-ethyl-6-isocyano-phthalazin-1-one

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-ethyl-6-isocyano-phthalazin-1-one Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-ethyl-6-isocyano-phthalazin-1-one CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethyl-6-isocyano-1-phthalazinone IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethyl-6-isocyanophthalazin-1-one Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-ethyl-6-isocyano-phthalazin-1-one Formula: C19H17ClN4O2 MolecularWeight: 368.81688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)[N+]#[C-])C(=N1)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)[N+]#[C-])C(=N1)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C19H17ClN4O2/c1-4-24-19(25)14-7-6-13(21-2)10-15(14)18(23-24)22-11-12-5-8-17(26-3)16(20)9-12/h5-10H,4,11H2,1,3H3,(H,22,23)