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

Systemtic Name: 1-(3-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea CAS Name: 1-(3-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]urea Traditional Name: 1-(3-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(=C1)NC(=O)NCC=CCC2=CC=C(C=C2)CC3=CN=CN3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC/C=C/CC2=CC=C(C=C2)CC3=CN=CN3)C#N

InChI

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