1-(1,3-benzothiazol-5-yl)-N-phthalazin-5-yl-piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-5-yl)-N-phthalazin-5-yl-piperidine-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-5-yl)-N-phthalazin-5-yl-piperidine-4-carboxamide CAS Name: 1-(1,3-benzothiazol-5-yl)-N-(5-phthalazinyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzothiazol-5-yl)-N-phthalazin-5-ylpiperidine-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-5-yl)-N-phthalazin-5-yl-isonipecotamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC3=CN=NC=C32)C4=CC5=C(C=C4)SC=N5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC3=CN=NC=C32)C4=CC5=C(C=C4)SC=N5

InChI

InChI=1S/C21H19N5OS/c27-21(25-18-3-1-2-15-11-23-24-12-17(15)18)14-6-8-26(9-7-14)16-4-5-20-19(10-16)22-13-28-20/h1-5,10-14H,6-9H2,(H,25,27)