2-[[4-[4-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]butoxy]phenyl]methyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 2-[[4-[4-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]butoxy]phenyl]methyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-[[4-[4-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]butoxy]phenyl]methyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-[[4-[4-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]butoxy]phenyl]methyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-[[4-[4-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]butoxy]phenyl]methyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-[4-[4-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]butoxy]benzyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C35H40Cl2N4O5 MolecularWeight: 667.6219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CC4=CC=C(C=C4)OCCCCNCC(C5=CC(=C(C(=C5)Cl)N)Cl)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CC4=CC=C(C=C4)OCCCCNCC(C5=CC(=C(C(=C5)Cl)N)Cl)O)OC

InChI

InChI=1S/C35H40Cl2N4O5/c1-44-31-14-11-23(19-32(31)45-2)34-26-7-3-4-8-27(26)35(43)41(40-34)21-22-9-12-25(13-10-22)46-16-6-5-15-39-20-30(42)24-17-28(36)33(38)29(37)18-24/h3-4,9-14,17-19,26-27,30,39,42H,5-8,15-16,20-21,38H2,1-2H3