(2S)-N-(cyanomethyl)-4-methyl-2-[3-[4-[4-(2-methyl-2-oxidanyl-propyl)piperazin-1-yl]phenyl]phenyl]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[3-[4-[4-(2-methyl-2-oxidanyl-propyl)piperazin-1-yl]phenyl]phenyl]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[3-[4-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]phenyl]phenyl]-4-methyl-pentanamide CAS Name: (2S)-N-(cyanomethyl)-2-[3-[4-[4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]phenyl]phenyl]-4-methylpentanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[3-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]phenyl]-4-methylpentanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[3-[4-[4-(2-hydroxy-2-methyl-propyl)piperazino]phenyl]phenyl]-4-methyl-valeramide Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)CC(C)(C)O)C(=O)NCC#N

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)CC(C)(C)O)C(=O)NCC#N

InChI

InChI=1S/C28H38N4O2/c1-21(2)18-26(27(33)30-13-12-29)24-7-5-6-23(19-24)22-8-10-25(11-9-22)32-16-14-31(15-17-32)20-28(3,4)34/h5-11,19,21,26,34H,13-18,20H2,1-4H3,(H,30,33)/t26-/m0/s1