N-isoquinolin-5-yl-1-(2-phenoxyethanoyl)piperidine-4-carboxamide

Systemtic Name: N-isoquinolin-5-yl-1-(2-phenoxyethanoyl)piperidine-4-carboxamide Openeye Name: N-(5-isoquinolyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide CAS Name: N-(5-isoquinolinyl)-1-(1-oxo-2-phenoxyethyl)-4-piperidinecarboxamide IUPAC Name: N-isoquinolin-5-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide Traditional Name: N-(5-isoquinolyl)-1-(2-phenoxyacetyl)isonipecotamide Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c27-22(16-29-19-6-2-1-3-7-19)26-13-10-17(11-14-26)23(28)25-21-8-4-5-18-15-24-12-9-20(18)21/h1-9,12,15,17H,10-11,13-14,16H2,(H,25,28)