3-[(6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)pyridine-2-carboxamide

Systemtic Name: 3-[(6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)pyridine-2-carboxamide Openeye Name: 3-[(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)pyridine-2-carboxamide CAS Name: 3-[(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)-2-pyridinecarboxamide IUPAC Name: 3-[(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)pyridine-2-carboxamide Traditional Name: 3-[(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)picolinamide Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)O)CC3=C(N=CC=C3)C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)O)CC3=C(N=CC=C3)C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c30-24-12-11-22-18-29(16-13-21(22)17-24)19-23-10-6-15-27-25(23)26(31)28-14-5-4-9-20-7-2-1-3-8-20/h1-3,6-8,10-12,15,17,30H,4-5,9,13-14,16,18-19H2,(H,28,31)