N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide Traditional Name: N-(3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)-2-phenyl-butyramide Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCC(=O)N(C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCC(=O)N(C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N2O5/c1-2-22(19-6-4-3-5-7-19)27(31)28-21-9-11-23-20(13-21)15-29(26(30)16-32-23)14-18-8-10-24-25(12-18)34-17-33-24/h3-13,22H,2,14-17H2,1H3,(H,28,31)