3-[(2S,3S)-1-(4-chlorophenyl)-3-[[2-cyano-2-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]propyl]amino]butan-2-yl]benzenecarbonitrile

Systemtic Name: 3-[(2S,3S)-1-(4-chlorophenyl)-3-[[2-cyano-2-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]propyl]amino]butan-2-yl]benzenecarbonitrile Openeye Name: 3-[(1S,2S)-1-[(4-chlorophenyl)methyl]-2-[[2-cyano-2-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]propyl]amino]propyl]benzonitrile CAS Name: 3-[(2S,3S)-1-(4-chlorophenyl)-3-[[2-cyano-2-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]propyl]amino]butan-2-yl]benzonitrile IUPAC Name: 3-[(2S,3S)-1-(4-chlorophenyl)-3-[[2-cyano-2-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]propyl]amino]butan-2-yl]benzonitrile Traditional Name: 3-[(1S,2S)-1-(4-chlorobenzyl)-2-[[2-cyano-2-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]propyl]amino]propyl]benzonitrile Formula: C31H30ClN5 MolecularWeight: 508.0564

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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)C4=CC=NN4)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)C4=CC=NN4)C(C)(C)C#N

InChI

InChI=1S/C31H30ClN5/c1-21(28(18-22-7-13-27(32)14-8-22)26-6-4-5-23(17-26)19-33)36-30(31(2,3)20-34)25-11-9-24(10-12-25)29-15-16-35-37-29/h4-17,21,28,30,36H,18H2,1-3H3,(H,35,37)/t21-,28+,30?/m0/s1