2-[8-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]octyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Systemtic Name: 2-[8-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]octyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 2-[8-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]octyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 2-[8-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]octyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 2-[8-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]octyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 2-[8-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]octyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C32H44Cl2N4O4 MolecularWeight: 619.62216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CCCCCCCCNCC(C4=CC(=C(C(=C4)Cl)N)Cl)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CCCCCCCCNCC(C4=CC(=C(C(=C4)Cl)N)Cl)O)OC

InChI

InChI=1S/C32H44Cl2N4O4/c1-41-28-14-13-21(19-29(28)42-2)31-23-11-7-8-12-24(23)32(40)38(37-31)16-10-6-4-3-5-9-15-36-20-27(39)22-17-25(33)30(35)26(34)18-22/h13-14,17-19,23-24,27,36,39H,3-12,15-16,20,35H2,1-2H3