N-(pyridin-3-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(3-pyridylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(3-pyridinylmethyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-pyridylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C18H20N6OS/c25-16(20-13-14-4-3-7-19-12-14)15-5-10-24(11-6-15)18-22-21-17(26-18)23-8-1-2-9-23/h1-4,7-9,12,15H,5-6,10-11,13H2,(H,20,25)