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N-(cyanomethyl)-2-[3-[4-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]phenyl]-4-methyl-pentanamide
N-(cyanomethyl)-2-[3-[4-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]phenyl]-4-methyl-pentanamide
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)CNCC3=CN=CN3)C(=O)NCC#N
Isomeric SMILES
CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)CNCC3=CN=CN3)C(=O)NCC#N
InChI
InChI=1S/C25H29N5O/c1-18(2)12-24(25(31)29-11-10-26)22-5-3-4-21(13-22)20-8-6-19(7-9-20)14-27-15-23-16-28-17-30-23/h3-9,13,16-18,24,27H,11-12,14-15H2,1-2H3,(H,28,30)(H,29,31)
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