2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[2-(1-azepanylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[2-(azepan-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-(3-nitrophenyl)acetamide Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)CN2CCCCCC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CN(C(=CC1=O)CN2CCCCCC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-30-20-14-24(15-21(27)22-16-7-6-8-17(11-16)25(28)29)18(12-19(20)26)13-23-9-4-2-3-5-10-23/h6-8,11-12,14H,2-5,9-10,13,15H2,1H3,(H,22,27)