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

Systemtic Name: 1-(3-cyanophenyl)-3-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]prop-2-enyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]allyl]urea CAS Name: 1-(3-cyanophenyl)-3-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]prop-2-enyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]prop-2-enyl]urea Traditional Name: 1-(3-cyanophenyl)-3-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]allyl]urea Formula: C21H19N5O MolecularWeight: 357.40846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O/c22-13-18-3-1-5-19(12-18)26-21(27)24-10-2-4-16-6-8-17(9-7-16)11-20-14-23-15-25-20/h1-9,12,14-15H,10-11H2,(H,23,25)(H2,24,26,27)/b4-2+