3-[(2S,3S)-3-[[1-(4-bromophenyl)-2-cyano-2-methyl-propyl]amino]-1-(4-chlorophenyl)butan-2-yl]benzenecarbonitrile

Systemtic Name: 3-[(2S,3S)-3-[[1-(4-bromophenyl)-2-cyano-2-methyl-propyl]amino]-1-(4-chlorophenyl)butan-2-yl]benzenecarbonitrile Openeye Name: 3-[(1S,2S)-2-[[1-(4-bromophenyl)-2-cyano-2-methyl-propyl]amino]-1-[(4-chlorophenyl)methyl]propyl]benzonitrile CAS Name: 3-[(2S,3S)-3-[[1-(4-bromophenyl)-2-cyano-2-methylpropyl]amino]-1-(4-chlorophenyl)butan-2-yl]benzonitrile IUPAC Name: 3-[(2S,3S)-3-[[1-(4-bromophenyl)-2-cyano-2-methylpropyl]amino]-1-(4-chlorophenyl)butan-2-yl]benzonitrile Traditional Name: 3-[(1S,2S)-2-[[1-(4-bromophenyl)-2-cyano-2-methyl-propyl]amino]-1-(4-chlorobenzyl)propyl]benzonitrile Formula: C28H27BrClN3 MolecularWeight: 520.89108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)NC(C3=CC=C(C=C3)Br)C(C)(C)C#N

Isomeric SMILES

C[C@@H]([C@@H](CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)NC(C3=CC=C(C=C3)Br)C(C)(C)C#N

InChI

InChI=1S/C28H27BrClN3/c1-19(33-27(28(2,3)18-32)22-9-11-24(29)12-10-22)26(16-20-7-13-25(30)14-8-20)23-6-4-5-21(15-23)17-31/h4-15,19,26-27,33H,16H2,1-3H3/t19-,26+,27?/m0/s1