(3S)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-(2-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(2-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-ethoxy-4-hydroxy-benzyl)-N-(2-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3CC2C(=O)NCC4=CC=CC=N4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC3=CC=CC=C3C[C@H]2C(=O)NCC4=CC=CC=N4)O

InChI

InChI=1S/C25H27N3O3/c1-2-31-24-13-18(10-11-23(24)29)16-28-17-20-8-4-3-7-19(20)14-22(28)25(30)27-15-21-9-5-6-12-26-21/h3-13,22,29H,2,14-17H2,1H3,(H,27,30)/t22-/m0/s1