(3S)-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(5-chloro-2-hydroxy-phenyl)methyl]-N-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(5-chloro-2-hydroxyphenyl)methyl]-N-(3-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(5-chloro-2-hydroxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(5-chloro-2-hydroxy-benzyl)-N-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H22ClN3O2 MolecularWeight: 407.89268

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=C(C=CC(=C3)Cl)O)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CC3=C(C=CC(=C3)Cl)O)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H22ClN3O2/c24-20-7-8-22(28)19(10-20)15-27-14-18-6-2-1-5-17(18)11-21(27)23(29)26-13-16-4-3-9-25-12-16/h1-10,12,21,28H,11,13-15H2,(H,26,29)/t21-/m0/s1