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

Systemtic Name: 2-chloranyl-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-(2-ethyl-4-homoveratryl-3-keto-5H-1,4-benzoxazepin-7-yl)nicotinamide Formula: C27H28ClN3O5 MolecularWeight: 509.98132

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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)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H28ClN3O5/c1-4-21-27(33)31(13-11-17-7-9-23(34-2)24(14-17)35-3)16-18-15-19(8-10-22(18)36-21)30-26(32)20-6-5-12-29-25(20)28/h5-10,12,14-15,21H,4,11,13,16H2,1-3H3,(H,30,32)