N-isoquinolin-1-yl-1-phenyl-piperidine-4-carboxamide

Systemtic Name: N-isoquinolin-1-yl-1-phenyl-piperidine-4-carboxamide Openeye Name: N-(1-isoquinolyl)-1-phenyl-piperidine-4-carboxamide CAS Name: N-(1-isoquinolinyl)-1-phenyl-4-piperidinecarboxamide IUPAC Name: N-isoquinolin-1-yl-1-phenylpiperidine-4-carboxamide Traditional Name: N-(1-isoquinolyl)-1-phenyl-isonipecotamide Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O/c25-21(23-20-19-9-5-4-6-16(19)10-13-22-20)17-11-14-24(15-12-17)18-7-2-1-3-8-18/h1-10,13,17H,11-12,14-15H2,(H,22,23,25)