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

Systemtic Name: 4-[(3-cyanophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]-2-(2-methylphenyl)benzenecarbonitrile Openeye Name: 4-[(3-cyanophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]-2-(o-tolyl)benzonitrile CAS Name: 4-[(3-cyanophenyl)methyl-[(3-methyl-4-imidazolyl)methyl]amino]-2-(2-methylphenyl)benzonitrile IUPAC Name: 4-[(3-cyanophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]-2-(2-methylphenyl)benzonitrile Traditional Name: 4-[(3-cyanobenzyl)-[(3-methylimidazol-4-yl)methyl]amino]-2-(o-tolyl)benzonitrile Formula: C27H23N5 MolecularWeight: 417.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)N(CC3=CC=CC(=C3)C#N)CC4=CN=CN4C)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)N(CC3=CC=CC(=C3)C#N)CC4=CN=CN4C)C#N

InChI

InChI=1S/C27H23N5/c1-20-6-3-4-9-26(20)27-13-24(11-10-23(27)15-29)32(18-25-16-30-19-31(25)2)17-22-8-5-7-21(12-22)14-28/h3-13,16,19H,17-18H2,1-2H3