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1-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]-3-phenyl-urea
1-[(E)-4-[4-(1H-imidazol-5-ylmethyl)phenyl]but-2-enyl]-3-phenyl-urea
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)NC(=O)NCC=CCC2=CC=C(C=C2)CC3=CN=CN3
Isomeric SMILES
C1=CC=C(C=C1)NC(=O)NC/C=C/CC2=CC=C(C=C2)CC3=CN=CN3
InChI
InChI=1S/C21H22N4O/c26-21(25-19-7-2-1-3-8-19)23-13-5-4-6-17-9-11-18(12-10-17)14-20-15-22-16-24-20/h1-5,7-12,15-16H,6,13-14H2,(H,22,24)(H2,23,25,26)/b5-4+
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