[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-isoquinolin-3-yl-methanone

Systemtic Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-isoquinolin-3-yl-methanone Openeye Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-isoquinolyl)methanone CAS Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-isoquinolinyl)methanone IUPAC Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-isoquinolin-3-ylmethanone Traditional Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-isoquinolyl)methanone Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)C(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)C(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C23H24N2O2/c1-2-3-11-20-16-25(15-19-10-6-7-12-22(19)27-20)23(26)21-13-17-8-4-5-9-18(17)14-24-21/h4-10,12-14,20H,2-3,11,15-16H2,1H3/t20-/m0/s1