N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-chloranyl-pyridine-3-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-chloro-pyridine-3-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-chloro-3-pyridinecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-chloropyridine-3-carboxamide Traditional Name: 2-chloro-N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)nicotinamide Formula: C25H22ClN3O5 MolecularWeight: 479.91228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22ClN3O5/c1-2-19-25(31)29(12-15-5-7-21-22(10-15)33-14-32-21)13-16-11-17(6-8-20(16)34-19)28-24(30)18-4-3-9-27-23(18)26/h3-11,19H,2,12-14H2,1H3,(H,28,30)