4-[4-(6-oxidanylidene-4-pyridin-3-yl-oxan-2-yl)butyl]benzenecarboximidamide

Systemtic Name: 4-[4-(6-oxidanylidene-4-pyridin-3-yl-oxan-2-yl)butyl]benzenecarboximidamide Openeye Name: 4-[4-[6-oxo-4-(3-pyridyl)tetrahydropyran-2-yl]butyl]benzamidine CAS Name: 4-[4-[6-oxo-4-(3-pyridinyl)-2-oxanyl]butyl]benzenecarboximidamide IUPAC Name: 4-[4-(6-oxo-4-pyridin-3-yloxan-2-yl)butyl]benzenecarboximidamide Traditional Name: 4-[4-[6-keto-4-(3-pyridyl)tetrahydropyran-2-yl]butyl]benzamidine Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)OC1CCCCC2=CC=C(C=C2)C(=N)N)C3=CN=CC=C3

Isomeric SMILES

C1C(CC(=O)OC1CCCCC2=CC=C(C=C2)C(=N)N)C3=CN=CC=C3

InChI

InChI=1S/C21H25N3O2/c22-21(23)16-9-7-15(8-10-16)4-1-2-6-19-12-18(13-20(25)26-19)17-5-3-11-24-14-17/h3,5,7-11,14,18-19H,1-2,4,6,12-13H2,(H3,22,23)