N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)phenyl]-pyridin-2-yl-methoxy]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)phenyl]-pyridin-2-yl-methoxy]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)phenyl]-(2-pyridyl)methoxy]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[4-(1-piperazinyl)phenyl]phenyl]-(2-pyridinyl)methoxy]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)phenyl]-pyridin-2-ylmethoxy]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazinophenyl)phenyl]-(2-pyridyl)methoxy]valeramide Formula: C30H35N5O2 MolecularWeight: 497.6312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3)C4=CC=CC=N4

InChI

InChI=1S/C30H35N5O2/c1-22(2)21-28(30(36)34-16-14-31)37-29(27-5-3-4-15-33-27)25-8-6-23(7-9-25)24-10-12-26(13-11-24)35-19-17-32-18-20-35/h3-13,15,22,28-29,32H,16-21H2,1-2H3,(H,34,36)