(1S,6R)-6-(2,4-dichlorophenyl)-4-pyridin-3-yl-3-(pyridin-4-yloxymethyl)cyclohex-3-en-1-amine

Systemtic Name: (1S,6R)-6-(2,4-dichlorophenyl)-4-pyridin-3-yl-3-(pyridin-4-yloxymethyl)cyclohex-3-en-1-amine Openeye Name: (1S,6R)-6-(2,4-dichlorophenyl)-4-(3-pyridyl)-3-(4-pyridyloxymethyl)cyclohex-3-en-1-amine CAS Name: (1S,6R)-6-(2,4-dichlorophenyl)-4-(3-pyridinyl)-3-(pyridin-4-yloxymethyl)-1-cyclohex-3-enamine IUPAC Name: (1S,6R)-6-(2,4-dichlorophenyl)-4-pyridin-3-yl-3-(pyridin-4-yloxymethyl)cyclohex-3-en-1-amine Traditional Name: [(1S,6R)-6-(2,4-dichlorophenyl)-4-(3-pyridyl)-3-(4-pyridyloxymethyl)cyclohex-3-en-1-yl]amine Formula: C23H21Cl2N3O MolecularWeight: 426.33834

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(=C1C2=CN=CC=C2)COC3=CC=NC=C3)N)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1[C@@H]([C@H](CC(=C1C2=CN=CC=C2)COC3=CC=NC=C3)N)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H21Cl2N3O/c24-17-3-4-19(22(25)11-17)21-12-20(15-2-1-7-28-13-15)16(10-23(21)26)14-29-18-5-8-27-9-6-18/h1-9,11,13,21,23H,10,12,14,26H2/t21-,23+/m1/s1