N-[4-(azepan-1-yl)phenyl]-2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(3-cyano-5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(3-cyano-5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(3-cyano-2-keto-5-nitro-1-pyridyl)acetamide Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c21-12-15-11-18(25(28)29)13-24(20(15)27)14-19(26)22-16-5-7-17(8-6-16)23-9-3-1-2-4-10-23/h5-8,11,13H,1-4,9-10,14H2,(H,22,26)