N-(cyanomethyl)-4-methyl-2-[3-(6-piperazin-1-ylpyridin-3-yl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(6-piperazin-1-ylpyridin-3-yl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(6-piperazin-1-yl-3-pyridyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[6-(1-piperazinyl)-3-pyridinyl]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(6-piperazin-1-ylpyridin-3-yl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(6-piperazino-3-pyridyl)phenyl]valeramide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CN=C(C=C2)N3CCNCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CN=C(C=C2)N3CCNCC3)C(=O)NCC#N

InChI

InChI=1S/C23H29N5O/c1-17(2)14-21(23(29)26-9-8-24)19-5-3-4-18(15-19)20-6-7-22(27-16-20)28-12-10-25-11-13-28/h3-7,15-17,21,25H,9-14H2,1-2H3,(H,26,29)