4-[[(4R,5S)-5-azanyl-4-(2,4-dichlorophenyl)-2-pyridin-3-yl-cyclohexen-1-yl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[(4R,5S)-5-azanyl-4-(2,4-dichlorophenyl)-2-pyridin-3-yl-cyclohexen-1-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[[(4R,5S)-5-amino-4-(2,4-dichlorophenyl)-2-(3-pyridyl)cyclohexen-1-yl]methoxy]benzonitrile CAS Name: 4-[[(4R,5S)-5-amino-4-(2,4-dichlorophenyl)-2-(3-pyridinyl)-1-cyclohexenyl]methoxy]benzonitrile IUPAC Name: 4-[[(4R,5S)-5-amino-4-(2,4-dichlorophenyl)-2-pyridin-3-ylcyclohexen-1-yl]methoxy]benzonitrile Traditional Name: 4-[[(4R,5S)-5-amino-4-(2,4-dichlorophenyl)-2-(3-pyridyl)cyclohexen-1-yl]methoxy]benzonitrile Formula: C25H21Cl2N3O MolecularWeight: 450.35974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21Cl2N3O/c26-19-5-8-21(24(27)11-19)23-12-22(17-2-1-9-30-14-17)18(10-25(23)29)15-31-20-6-3-16(13-28)4-7-20/h1-9,11,14,23,25H,10,12,15,29H2/t23-,25+/m1/s1