2-(4-bromanylbutyl)-4-(3-chloranyl-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 2-(4-bromanylbutyl)-4-(3-chloranyl-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-(4-bromobutyl)-4-(3-chloro-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-(4-bromobutyl)-4-(3-chloro-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-(4-bromobutyl)-4-(3-chloro-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-(4-bromobutyl)-4-(3-chloro-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C19H22BrClN2O2 MolecularWeight: 425.74718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCBr)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCBr)Cl

InChI

InChI=1S/C19H22BrClN2O2/c1-25-17-9-8-13(12-16(17)21)18-14-6-2-3-7-15(14)19(24)23(22-18)11-5-4-10-20/h2-3,8-9,12,14-15H,4-7,10-11H2,1H3