4-[(3-methylimidazol-4-yl)methyl-[2-[(2-methylphenyl)methylamino]ethyl]amino]benzenecarbonitrile

Systemtic Name: 4-[(3-methylimidazol-4-yl)methyl-[2-[(2-methylphenyl)methylamino]ethyl]amino]benzenecarbonitrile Openeye Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(o-tolylmethylamino)ethyl]amino]benzonitrile CAS Name: 4-[(3-methyl-4-imidazolyl)methyl-[2-[(2-methylphenyl)methylamino]ethyl]amino]benzonitrile IUPAC Name: 4-[(3-methylimidazol-4-yl)methyl-[2-[(2-methylphenyl)methylamino]ethyl]amino]benzonitrile Traditional Name: 4-[2-[(2-methylbenzyl)amino]ethyl-[(3-methylimidazol-4-yl)methyl]amino]benzonitrile Formula: C22H25N5 MolecularWeight: 359.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCCN(CC2=CN=CN2C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1CNCCN(CC2=CN=CN2C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N5/c1-18-5-3-4-6-20(18)14-24-11-12-27(16-22-15-25-17-26(22)2)21-9-7-19(13-23)8-10-21/h3-10,15,17,24H,11-12,14,16H2,1-2H3