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

Systemtic Name: N-(cyanomethyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzamide Openeye Name: N-(cyanomethyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzamide CAS Name: N-(cyanomethyl)-4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzamide IUPAC Name: N-(cyanomethyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzamide Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-N-(cyanomethyl)-2-phenyl-benzamide Formula: C27H22N6O MolecularWeight: 446.50318

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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)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C27H22N6O/c28-12-13-31-27(34)25-11-10-23(14-26(25)22-4-2-1-3-5-22)32-17-24-16-30-19-33(24)18-21-8-6-20(15-29)7-9-21/h1-11,14,16,19,32H,13,17-18H2,(H,31,34)