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

Systemtic Name: 2-chloranyl-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)nicotinamide Formula: C26H26ClN3O5 MolecularWeight: 495.95474

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=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

CC1C(=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/C26H26ClN3O5/c1-16-26(32)30(12-10-17-6-8-22(33-2)23(13-17)34-3)15-18-14-19(7-9-21(18)35-16)29-25(31)20-5-4-11-28-24(20)27/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H,29,31)