(2S)-2-(4-imidazol-1-ylphenyl)-2-[(3-methylphenyl)amino]ethanenitrile

Systemtic Name: (2S)-2-(4-imidazol-1-ylphenyl)-2-[(3-methylphenyl)amino]ethanenitrile Openeye Name: (2S)-2-(4-imidazol-1-ylphenyl)-2-(3-methylanilino)acetonitrile CAS Name: (2S)-2-[4-(1-imidazolyl)phenyl]-2-(3-methylanilino)acetonitrile IUPAC Name: (2S)-2-(4-imidazol-1-ylphenyl)-2-(3-methylanilino)acetonitrile Traditional Name: (2S)-2-(4-imidazol-1-ylphenyl)-2-(m-toluidino)acetonitrile Formula: C18H16N4 MolecularWeight: 288.34644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4/c1-14-3-2-4-16(11-14)21-18(12-19)15-5-7-17(8-6-15)22-10-9-20-13-22/h2-11,13,18,21H,1H3/t18-/m1/s1