3-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[6-[[(1S)-1-(p-tolyl)ethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-pyrazinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[6-[[(1S)-1-(p-tolyl)ethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile Formula: C21H18N6 MolecularWeight: 354.40782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)NC2=NC(=CN=C2)N3C=NC4=C3C=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C)NC2=NC(=CN=C2)N3C=NC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C21H18N6/c1-14-3-6-17(7-4-14)15(2)25-20-11-23-12-21(26-20)27-13-24-18-8-5-16(10-22)9-19(18)27/h3-9,11-13,15H,1-2H3,(H,25,26)/t15-/m0/s1