2-[4-[2-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]ethoxy]phenyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; ethanedioic acid

Systemtic Name: 2-[4-[2-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]ethoxy]phenyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; ethanedioic acid Openeye Name: 2-[4-[2-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]ethoxy]phenyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; oxalic acid CAS Name: 2-[4-[2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; oxalic acid IUPAC Name: 2-[4-[2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; oxalic acid Traditional Name: 2-[4-[2-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]ethoxy]phenyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; oxalic acid Formula: C34H36Cl2N4O9 MolecularWeight: 715.57704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H34Cl2N4O5.C2H2O4/c1-41-28-12-7-19(17-29(28)42-2)31-23-5-3-4-6-24(23)32(40)38(37-31)21-8-10-22(11-9-21)43-14-13-36-18-27(39)20-15-25(33)30(35)26(34)16-20;3-1(4)2(5)6/h3-4,7-12,15-17,23-24,27,36,39H,5-6,13-14,18,35H2,1-2H3;(H,3,4)(H,5,6)