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

Systemtic Name: 3-[(2S,3S)-1-(4-chlorophenyl)-3-[[2-cyano-2-methyl-1-[4-(1,2,3-triazol-2-yl)phenyl]propyl]amino]butan-2-yl]benzenecarbonitrile Openeye Name: 3-[(1S,2S)-1-[(4-chlorophenyl)methyl]-2-[[2-cyano-2-methyl-1-[4-(triazol-2-yl)phenyl]propyl]amino]propyl]benzonitrile CAS Name: 3-[(2S,3S)-1-(4-chlorophenyl)-3-[[2-cyano-2-methyl-1-[4-(2-triazolyl)phenyl]propyl]amino]butan-2-yl]benzonitrile IUPAC Name: 3-[(2S,3S)-1-(4-chlorophenyl)-3-[[2-cyano-2-methyl-1-[4-(triazol-2-yl)phenyl]propyl]amino]butan-2-yl]benzonitrile Traditional Name: 3-[(1S,2S)-1-(4-chlorobenzyl)-2-[[2-cyano-2-methyl-1-[4-(triazol-2-yl)phenyl]propyl]amino]propyl]benzonitrile Formula: C30H29ClN6 MolecularWeight: 509.04446

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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)N4N=CC=N4)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)N4N=CC=N4)C(C)(C)C#N

InChI

InChI=1S/C30H29ClN6/c1-21(28(18-22-7-11-26(31)12-8-22)25-6-4-5-23(17-25)19-32)36-29(30(2,3)20-33)24-9-13-27(14-10-24)37-34-15-16-35-37/h4-17,21,28-29,36H,18H2,1-3H3/t21-,28+,29?/m0/s1