6-[(2R)-1-[(3R)-4-(2-chloranyl-4-cyano-phenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propan-2-yl]-N-(2-hydroxyethyl)-N-methyl-pyridine-3-carboxamide

Systemtic Name: 6-[(2R)-1-[(3R)-4-(2-chloranyl-4-cyano-phenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propan-2-yl]-N-(2-hydroxyethyl)-N-methyl-pyridine-3-carboxamide Openeye Name: 6-[(1R)-2-[(3R)-4-(2-chloro-4-cyano-phenyl)-3-(4-chlorophenyl)piperazin-1-yl]-1-hydroxy-1-methyl-ethyl]-N-(2-hydroxyethyl)-N-methyl-pyridine-3-carboxamide CAS Name: 6-[(2R)-1-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)-1-piperazinyl]-2-hydroxypropan-2-yl]-N-(2-hydroxyethyl)-N-methyl-3-pyridinecarboxamide IUPAC Name: 6-[(2R)-1-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropan-2-yl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide Traditional Name: 6-[(1R)-2-[(3R)-4-(2-chloro-4-cyano-phenyl)-3-(4-chlorophenyl)piperazino]-1-hydroxy-1-methyl-ethyl]-N-(2-hydroxyethyl)-N-methyl-nicotinamide Formula: C29H31Cl2N5O3 MolecularWeight: 568.49414

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(C(C1)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C#N)Cl)(C4=NC=C(C=C4)C(=O)N(C)CCO)O

Isomeric SMILES

C[C@@](CN1CCN([C@@H](C1)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C#N)Cl)(C4=NC=C(C=C4)C(=O)N(C)CCO)O

InChI

InChI=1S/C29H31Cl2N5O3/c1-29(39,27-10-6-22(17-33-27)28(38)34(2)13-14-37)19-35-11-12-36(25-9-3-20(16-32)15-24(25)31)26(18-35)21-4-7-23(30)8-5-21/h3-10,15,17,26,37,39H,11-14,18-19H2,1-2H3/t26-,29+/m0/s1