pyrazin-2-yl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: pyrazin-2-yl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: pyrazin-2-yl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 2-pyrazinyl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: pyrazin-2-yl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: pyrazin-2-yl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=NC=CN=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=NC=CN=C5

InChI

InChI=1S/C24H24N4O2/c29-24(22-14-25-8-9-26-22)28-11-12-30-23-6-5-18(13-21(23)17-28)15-27-10-7-19-3-1-2-4-20(19)16-27/h1-6,8-9,13-14H,7,10-12,15-17H2/p+1