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

Systemtic Name: 1-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]prop-2-enyl]-3-(4-methylphenyl)urea Openeye Name: 1-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]allyl]-3-(p-tolyl)urea CAS Name: 1-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]prop-2-enyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]prop-2-enyl]-3-(4-methylphenyl)urea Traditional Name: 1-[(E)-3-[4-(1H-imidazol-5-ylmethyl)phenyl]allyl]-3-(p-tolyl)urea Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC=CC2=CC=C(C=C2)CC3=CN=CN3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC/C=C/C2=CC=C(C=C2)CC3=CN=CN3

InChI

InChI=1S/C21H22N4O/c1-16-4-10-19(11-5-16)25-21(26)23-12-2-3-17-6-8-18(9-7-17)13-20-14-22-15-24-20/h2-11,14-15H,12-13H2,1H3,(H,22,24)(H2,23,25,26)/b3-2+