(2S)-2-(4-imidazol-1-ylphenyl)-2-[(3-methyl-4-propan-2-yl-phenyl)amino]ethanenitrile

Systemtic Name: (2S)-2-(4-imidazol-1-ylphenyl)-2-[(3-methyl-4-propan-2-yl-phenyl)amino]ethanenitrile Openeye Name: (2S)-2-(4-imidazol-1-ylphenyl)-2-(4-isopropyl-3-methyl-anilino)acetonitrile CAS Name: (2S)-2-[4-(1-imidazolyl)phenyl]-2-(3-methyl-4-propan-2-ylanilino)acetonitrile IUPAC Name: (2S)-2-(4-imidazol-1-ylphenyl)-2-(3-methyl-4-propan-2-ylanilino)acetonitrile Traditional Name: (2S)-2-(4-imidazol-1-ylphenyl)-2-(4-isopropyl-3-methyl-anilino)acetonitrile Formula: C21H22N4 MolecularWeight: 330.42618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(C#N)C2=CC=C(C=C2)N3C=CN=C3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N[C@H](C#N)C2=CC=C(C=C2)N3C=CN=C3)C(C)C

InChI

InChI=1S/C21H22N4/c1-15(2)20-9-6-18(12-16(20)3)24-21(13-22)17-4-7-19(8-5-17)25-11-10-23-14-25/h4-12,14-15,21,24H,1-3H3/t21-/m1/s1