N3-cyclooctyl-4-oxidanylidene-N5-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N3-cyclooctyl-4-oxidanylidene-N5-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide Openeye Name: N3-cyclooctyl-N5-(3-isopropoxypropyl)-4-oxo-1-(2-pyridylmethyl)pyridine-3,5-dicarboxamide CAS Name: N3-cyclooctyl-4-oxo-N5-(3-propan-2-yloxypropyl)-1-(2-pyridinylmethyl)pyridine-3,5-dicarboxamide IUPAC Name: 3-N-cyclooctyl-4-oxo-5-N-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide Traditional Name: N-cyclooctyl-N'-(3-isopropoxypropyl)-4-keto-1-(2-pyridylmethyl)dinicotinamide Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CCCCCCC2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CCCCCCC2)CC3=CC=CC=N3

InChI

InChI=1S/C27H38N4O4/c1-20(2)35-16-10-15-29-26(33)23-18-31(17-22-13-8-9-14-28-22)19-24(25(23)32)27(34)30-21-11-6-4-3-5-7-12-21/h8-9,13-14,18-21H,3-7,10-12,15-17H2,1-2H3,(H,29,33)(H,30,34)