N-[3-oxidanylidene-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Openeye Name: N-[3-oxo-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide CAS Name: N-[3-oxo-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-oxo-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Traditional Name: N-[3-keto-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)N2CC3=C(C=CC(=C3)NC(=O)C4=CC=CS4)OCC2=O

Isomeric SMILES

CCC(C1=CC=CC=C1)N2CC3=C(C=CC(=C3)NC(=O)C4=CC=CS4)OCC2=O

InChI

InChI=1S/C23H22N2O3S/c1-2-19(16-7-4-3-5-8-16)25-14-17-13-18(10-11-20(17)28-15-22(25)26)24-23(27)21-9-6-12-29-21/h3-13,19H,2,14-15H2,1H3,(H,24,27)