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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[5-(4-piperazin-1-ylphenyl)pyridin-3-yl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[5-(4-piperazin-1-ylphenyl)-3-pyridyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[5-[4-(1-piperazinyl)phenyl]-3-pyridinyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[5-(4-piperazin-1-ylphenyl)pyridin-3-yl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[5-(4-piperazinophenyl)-3-pyridyl]valeramide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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