N-(cyanomethyl)-1-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]piperidine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]piperidine-2-carboxamide Openeye Name: N-(cyanomethyl)-1-[3-(2-piperazin-1-ylthiazol-4-yl)phenyl]piperidine-2-carboxamide CAS Name: N-(cyanomethyl)-1-[3-[2-(1-piperazinyl)-4-thiazolyl]phenyl]-2-piperidinecarboxamide IUPAC Name: N-(cyanomethyl)-1-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl]piperidine-2-carboxamide Traditional Name: N-(cyanomethyl)-1-[3-(2-piperazinothiazol-4-yl)phenyl]pipecolinamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCC#N)C2=CC=CC(=C2)C3=CSC(=N3)N4CCNCC4

Isomeric SMILES

C1CCN(C(C1)C(=O)NCC#N)C2=CC=CC(=C2)C3=CSC(=N3)N4CCNCC4

InChI

InChI=1S/C21H26N6OS/c22-7-8-24-20(28)19-6-1-2-11-27(19)17-5-3-4-16(14-17)18-15-29-21(25-18)26-12-9-23-10-13-26/h3-5,14-15,19,23H,1-2,6,8-13H2,(H,24,28)