N-isoquinolin-3-yl-2-(oxan-4-ylmethylamino)benzamide

Systemtic Name: N-isoquinolin-3-yl-2-(oxan-4-ylmethylamino)benzamide Openeye Name: N-(3-isoquinolyl)-2-(tetrahydropyran-4-ylmethylamino)benzamide CAS Name: N-(3-isoquinolinyl)-2-(4-oxanylmethylamino)benzamide IUPAC Name: N-isoquinolin-3-yl-2-(oxan-4-ylmethylamino)benzamide Traditional Name: N-(3-isoquinolyl)-2-(tetrahydropyran-4-ylmethylamino)benzamide Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1COCCC1CNC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C22H23N3O2/c26-22(25-21-13-17-5-1-2-6-18(17)15-24-21)19-7-3-4-8-20(19)23-14-16-9-11-27-12-10-16/h1-8,13,15-16,23H,9-12,14H2,(H,24,25,26)