N-(1-cyanocyclopropyl)-2-[3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]phenyl]-4-methyl-pentanamide

Systemtic Name: N-(1-cyanocyclopropyl)-2-[3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]phenyl]-4-methyl-pentanamide Openeye Name: N-(1-cyanocyclopropyl)-2-[3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]phenyl]-4-methyl-pentanamide CAS Name: N-(1-cyanocyclopropyl)-2-[3-[4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]phenyl]-4-methylpentanamide IUPAC Name: N-(1-cyanocyclopropyl)-2-[3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]phenyl]-4-methylpentanamide Traditional Name: N-(1-cyanocyclopropyl)-2-[3-[4-[4-(2-hydroxyethyl)piperazino]phenyl]phenyl]-4-methyl-valeramide Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)CCO)C(=O)NC4(CC4)C#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)CCO)C(=O)NC4(CC4)C#N

InChI

InChI=1S/C28H36N4O2/c1-21(2)18-26(27(34)30-28(20-29)10-11-28)24-5-3-4-23(19-24)22-6-8-25(9-7-22)32-14-12-31(13-15-32)16-17-33/h3-9,19,21,26,33H,10-18H2,1-2H3,(H,30,34)