2-azanyl-3-chloranyl-5-[2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]hexylamino]-1-oxidanyl-ethyl]benzenecarbonitrile; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-3-chloranyl-5-[2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]hexylamino]-1-oxidanyl-ethyl]benzenecarbonitrile; (E)-but-2-enedioic acid Openeye Name: 2-amino-3-chloro-5-[2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-1-piperidyl]hexylamino]-1-hydroxy-ethyl]benzonitrile; fumaric acid CAS Name: 2-amino-3-chloro-5-[2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-1-piperidinyl]hexylamino]-1-hydroxyethyl]benzonitrile; (E)-2-butenedioic acid IUPAC Name: 2-amino-3-chloro-5-[2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]hexylamino]-1-hydroxyethyl]benzonitrile; (E)-but-2-enedioic acid Traditional Name: 2-amino-3-chloro-5-[2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidino]hexylamino]-1-hydroxy-ethyl]benzonitrile; fumaric acid Formula: C40H51ClN6O8 MolecularWeight: 779.32134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)CCCCCCNCC(C5=CC(=C(C(=C5)C#N)N)Cl)O)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C36H47ClN6O4.C4H4O4/c1-46-32-12-11-24(21-33(32)47-2)35-28-9-5-6-10-29(28)36(45)43(41-35)27-13-17-42(18-14-27)16-8-4-3-7-15-40-23-31(44)25-19-26(22-38)34(39)30(37)20-25;5-3(6)1-2-4(7)8/h5-6,11-12,19-21,27-29,31,40,44H,3-4,7-10,13-18,23,39H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+