2-[(1S,2S)-2-azanylcyclohexyl]-3-(4-chlorophenyl)-3-oxidanyl-isoindol-1-one

Systemtic Name: 2-[(1S,2S)-2-azanylcyclohexyl]-3-(4-chlorophenyl)-3-oxidanyl-isoindol-1-one Openeye Name: 2-[(1S,2S)-2-aminocyclohexyl]-3-(4-chlorophenyl)-3-hydroxy-isoindolin-1-one CAS Name: 2-[(1S,2S)-2-aminocyclohexyl]-3-(4-chlorophenyl)-3-hydroxy-1-isoindolone IUPAC Name: 2-[(1S,2S)-2-aminocyclohexyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one Traditional Name: 2-[(1S,2S)-2-aminocyclohexyl]-3-(4-chlorophenyl)-3-hydroxy-isoindolin-1-one Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)N)N2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C20H21ClN2O2/c21-14-11-9-13(10-12-14)20(25)16-6-2-1-5-15(16)19(24)23(20)18-8-4-3-7-17(18)22/h1-2,5-6,9-12,17-18,25H,3-4,7-8,22H2/t17-,18-,20?/m0/s1