3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

Systemtic Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide Openeye Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-methylthiazol-4-yl)methyl]propanamide CAS Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-methyl-4-thiazolyl)methyl]propanamide IUPAC Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide Traditional Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2-methylthiazol-4-yl)methyl]propionamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=CSC(=N3)C

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=CSC(=N3)C

InChI

InChI=1S/C21H29N3O2S/c1-3-4-8-19-14-24(13-17-7-5-6-9-20(17)26-19)11-10-21(25)22-12-18-15-27-16(2)23-18/h5-7,9,15,19H,3-4,8,10-14H2,1-2H3,(H,22,25)/t19-/m0/s1