N-(2-cyanoethyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzamide

Systemtic Name: N-(2-cyanoethyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzamide Openeye Name: N-(2-cyanoethyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzamide CAS Name: N-(2-cyanoethyl)-4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzamide IUPAC Name: N-(2-cyanoethyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzamide Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-N-(2-cyanoethyl)-2-phenyl-benzamide Formula: C28H24N6O MolecularWeight: 460.52976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)NCCC#N

InChI

InChI=1S/C28H24N6O/c29-13-4-14-32-28(35)26-12-11-24(15-27(26)23-5-2-1-3-6-23)33-18-25-17-31-20-34(25)19-22-9-7-21(16-30)8-10-22/h1-3,5-12,15,17,20,33H,4,14,18-19H2,(H,32,35)