1-(4-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea

Systemtic Name: 1-(4-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea Openeye Name: 1-(4-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea CAS Name: 1-(4-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea IUPAC Name: 1-(4-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea Traditional Name: 1-(4-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC=CCNC(=O)NC2=CC=C(C=C2)C#N)CC3=CN=CN3

Isomeric SMILES

C1=CC(=CC=C1C/C=C/CNC(=O)NC2=CC=C(C=C2)C#N)CC3=CN=CN3

InChI

InChI=1S/C22H21N5O/c23-14-19-8-10-20(11-9-19)27-22(28)25-12-2-1-3-17-4-6-18(7-5-17)13-21-15-24-16-26-21/h1-2,4-11,15-16H,3,12-13H2,(H,24,26)(H2,25,27,28)/b2-1+