2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-5-piperidin-4-yl-4a,5,8,8a-tetrahydrophthalazin-2-yl]ethanal hydrochloride

Systemtic Name: 2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-5-piperidin-4-yl-4a,5,8,8a-tetrahydrophthalazin-2-yl]ethanal hydrochloride Openeye Name: 2-(4-amino-3,5-dichloro-phenyl)-2-[4-(3,4-dimethoxyphenyl)-1-oxo-5-(4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-2-yl]acetaldehyde hydrochloride CAS Name: 2-(4-amino-3,5-dichlorophenyl)-2-[4-(3,4-dimethoxyphenyl)-1-oxo-5-(4-piperidinyl)-4a,5,8,8a-tetrahydrophthalazin-2-yl]acetaldehyde hydrochloride IUPAC Name: 2-(4-amino-3,5-dichlorophenyl)-2-[4-(3,4-dimethoxyphenyl)-1-oxo-5-piperidin-4-yl-4a,5,8,8a-tetrahydrophthalazin-2-yl]acetaldehyde hydrochloride Traditional Name: 2-(4-amino-3,5-dichloro-phenyl)-2-[4-(3,4-dimethoxyphenyl)-1-keto-5-(4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-2-yl]acetaldehyde hydrochloride Formula: C29H33Cl3N4O4 MolecularWeight: 607.95572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2C(C=CC3)C4CCNCC4)C(C=O)C5=CC(=C(C(=C5)Cl)N)Cl)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2C(C=CC3)C4CCNCC4)C(C=O)C5=CC(=C(C(=C5)Cl)N)Cl)OC.Cl

InChI

InChI=1S/C29H32Cl2N4O4.ClH/c1-38-24-7-6-17(14-25(24)39-2)28-26-19(16-8-10-33-11-9-16)4-3-5-20(26)29(37)35(34-28)23(15-36)18-12-21(30)27(32)22(31)13-18;/h3-4,6-7,12-16,19-20,23,26,33H,5,8-11,32H2,1-2H3;1H