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

Systemtic Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]propanamide Openeye Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide CAS Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide IUPAC Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide Traditional Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(4-keto-1H-quinazolin-2-yl)methyl]propionamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H30N4O3/c1-2-3-9-19-17-29(16-18-8-4-7-12-22(18)32-19)14-13-24(30)26-15-23-27-21-11-6-5-10-20(21)25(31)28-23/h4-8,10-12,19H,2-3,9,13-17H2,1H3,(H,26,30)(H,27,28,31)/t19-/m0/s1