sodium; 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoate; 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; 2-methyl-2-[4-[1-oxidanyl-4-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]propanoic acid

Systemtic Name: sodium; 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoate; 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; 2-methyl-2-[4-[1-oxidanyl-4-[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]propanoic acid Openeye Name: sodium; 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate; 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]butyl]phenyl]-2-methyl-propanoic acid CAS Name: sodium; 4-[(4-chlorophenyl)methyl]-2-(1-methyl-4-azepanyl)-1-phthalazinone; 2-[1-[[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetate; 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]butyl]phenyl]-2-methylpropanoic acid IUPAC Name: sodium; 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate; 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid Traditional Name: sodium; 4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1-one; 2-[1-[[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]cyclopropyl]acetate; 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidino]butyl]phenyl]-2-methyl-propionic acid Formula: C89H98Cl2N5NaO8S MolecularWeight: 1491.71989

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O.CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.[Na+]

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O.CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.[Na+]

InChI

InChI=1S/C35H36ClNO3S.C32H39NO4.C22H24ClN3O.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);2-3,6-11,18H,4-5,12-15H2,1H3;/q;;;+1/p-1/b15-10+;;;/t32-;;;/m1.../s1