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

Systemtic Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-N-propan-2-yl-benzamide Openeye Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-isopropyl-2-phenyl-benzamide CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-2-phenyl-N-propan-2-ylbenzamide IUPAC Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-N-propan-2-ylbenzamide Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-N-isopropyl-2-phenyl-benzamide Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O/c1-20(2)32-28(34)26-13-12-24(14-27(26)23-6-4-3-5-7-23)31-17-25-16-30-19-33(25)18-22-10-8-21(15-29)9-11-22/h3-14,16,19-20,31H,17-18H2,1-2H3,(H,32,34)