N-(cyanomethyl)-4-methyl-2-[[5-methyl-4-(4-piperazin-1-ylphenyl)-1,2-oxazol-3-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[5-methyl-4-(4-piperazin-1-ylphenyl)-1,2-oxazol-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[5-methyl-4-(4-piperazin-1-ylphenyl)isoxazol-3-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[5-methyl-4-[4-(1-piperazinyl)phenyl]-3-isoxazolyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[5-methyl-4-(4-piperazin-1-ylphenyl)-1,2-oxazol-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[5-methyl-4-(4-piperazinophenyl)isoxazol-3-yl]amino]valeramide Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)NC(CC(C)C)C(=O)NCC#N)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC1=C(C(=NO1)NC(CC(C)C)C(=O)NCC#N)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C22H30N6O2/c1-15(2)14-19(22(29)25-9-8-23)26-21-20(16(3)30-27-21)17-4-6-18(7-5-17)28-12-10-24-11-13-28/h4-7,15,19,24H,9-14H2,1-3H3,(H,25,29)(H,26,27)