3-cyano-1-methyl-1-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-2-[4-(phenylmethyl)phenyl]guanidine

Systemtic Name: 3-cyano-1-methyl-1-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-2-[4-(phenylmethyl)phenyl]guanidine Openeye Name: 2-(4-benzylphenyl)-3-cyano-1-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-1-methyl-guanidine CAS Name: 3-cyano-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-2-[4-(phenylmethyl)phenyl]guanidine IUPAC Name: 2-(4-benzylphenyl)-3-cyano-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylguanidine Traditional Name: 2-(4-benzylphenyl)-3-cyano-1-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-1-methyl-guanidine Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)C(=NC2=CC=C(C=C2)CC3=CC=CC=C3)NC#N

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)N(C)C(=NC2=CC=C(C=C2)CC3=CC=CC=C3)NC#N

InChI

InChI=1S/C25H26N4O/c1-19(24(30)22-11-7-4-8-12-22)29(2)25(27-18-26)28-23-15-13-21(14-16-23)17-20-9-5-3-6-10-20/h3-16,19,24,30H,17H2,1-2H3,(H,27,28)/t19-,24-/m1/s1