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

Systemtic Name: 2-[6-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]hexyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 2-[6-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]hexyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 2-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 2-[6-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]hexyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 2-[6-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]hexyl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C30H40Cl2N4O4 MolecularWeight: 591.569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40Cl2N4O4/c1-39-26-12-11-19(17-27(26)40-2)29-21-9-5-6-10-22(21)30(38)36(35-29)14-8-4-3-7-13-34-18-25(37)20-15-23(31)28(33)24(32)16-20/h11-12,15-17,21-22,25,34,37H,3-10,13-14,18,33H2,1-2H3