2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[(1-morpholin-4-ylcycloheptyl)methyl]-6-thiophen-2-yl-pyridine-3-carboxamide

Systemtic Name: 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[(1-morpholin-4-ylcycloheptyl)methyl]-6-thiophen-2-yl-pyridine-3-carboxamide Openeye Name: 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[(1-morpholinocycloheptyl)methyl]-6-(2-thienyl)pyridine-3-carboxamide CAS Name: 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[[1-(4-morpholinyl)cycloheptyl]methyl]-6-thiophen-2-yl-3-pyridinecarboxamide IUPAC Name: 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[(1-morpholin-4-ylcycloheptyl)methyl]-6-thiophen-2-ylpyridine-3-carboxamide Traditional Name: 2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[(1-morpholinocycloheptyl)methyl]-6-(2-thienyl)nicotinamide Formula: C28H40N4O4S MolecularWeight: 528.7066

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COCCO1)C2=C(C=CC(=N2)C3=CC=CS3)C(=O)NCC4(CCCCCC4)N5CCOCC5

Isomeric SMILES

CN(CC1COCCO1)C2=C(C=CC(=N2)C3=CC=CS3)C(=O)NCC4(CCCCCC4)N5CCOCC5

InChI

InChI=1S/C28H40N4O4S/c1-31(19-22-20-35-16-17-36-22)26-23(8-9-24(30-26)25-7-6-18-37-25)27(33)29-21-28(10-4-2-3-5-11-28)32-12-14-34-15-13-32/h6-9,18,22H,2-5,10-17,19-21H2,1H3,(H,29,33)