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

Systemtic Name: 4-[(3-methylimidazol-4-yl)methyl-[2-[(3-methylphenyl)methylamino]ethyl]amino]benzenecarbonitrile Openeye Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(m-tolylmethylamino)ethyl]amino]benzonitrile CAS Name: 4-[(3-methyl-4-imidazolyl)methyl-[2-[(3-methylphenyl)methylamino]ethyl]amino]benzonitrile IUPAC Name: 4-[(3-methylimidazol-4-yl)methyl-[2-[(3-methylphenyl)methylamino]ethyl]amino]benzonitrile Traditional Name: 4-[2-[(3-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=C1)CNCCN(CC2=CN=CN2C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CNCCN(CC2=CN=CN2C)C3=CC=C(C=C3)C#N

InChI

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