2-[1-[3-[2-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]ethylsulfanyl]propanoyl]piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride

Systemtic Name: 2-[1-[3-[2-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]ethylsulfanyl]propanoyl]piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Openeye Name: 2-[1-[3-[2-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]ethylsulfanyl]propanoyl]-4-piperidyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride CAS Name: 2-[1-[3-[2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]ethylthio]-1-oxopropyl]-4-piperidinyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride IUPAC Name: 2-[1-[3-[2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]ethylsulfanyl]propanoyl]piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Traditional Name: 2-[1-[3-[2-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]ethylthio]propanoyl]-4-piperidyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Formula: C34H44Cl3N5O5S MolecularWeight: 741.16766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)CCSCCNCC(C5=CC(=C(C(=C5)Cl)N)Cl)O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)CCSCCNCC(C5=CC(=C(C(=C5)Cl)N)Cl)O)OC.Cl

InChI

InChI=1S/C34H43Cl2N5O5S.ClH/c1-45-29-8-7-21(19-30(29)46-2)33-24-5-3-4-6-25(24)34(44)41(39-33)23-9-13-40(14-10-23)31(43)11-15-47-16-12-38-20-28(42)22-17-26(35)32(37)27(36)18-22;/h3-4,7-8,17-19,23-25,28,38,42H,5-6,9-16,20,37H2,1-2H3;1H