N5-cyclooctyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)-N3-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide

Systemtic Name: N5-cyclooctyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)-N3-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide Openeye Name: N5-cyclooctyl-4-oxo-1-(2-pyridylmethyl)-N3-[(1S)-1-(2-thienyl)ethyl]pyridine-3,5-dicarboxamide CAS Name: N5-cyclooctyl-4-oxo-1-(2-pyridinylmethyl)-N3-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide IUPAC Name: 5-N-cyclooctyl-4-oxo-1-(pyridin-2-ylmethyl)-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide Traditional Name: N'-cyclooctyl-4-keto-1-(2-pyridylmethyl)-N-[(1S)-1-(2-thienyl)ethyl]dinicotinamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCCC3)CC4=CC=CC=N4

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H32N4O3S/c1-19(24-13-9-15-35-24)29-26(33)22-17-31(16-21-12-7-8-14-28-21)18-23(25(22)32)27(34)30-20-10-5-3-2-4-6-11-20/h7-9,12-15,17-20H,2-6,10-11,16H2,1H3,(H,29,33)(H,30,34)/t19-/m0/s1