N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]pyridine-3-carboxamide

Systemtic Name: N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]pyridine-3-carboxamide Openeye Name: N-[(E)-[3-(1-adamantylamino)-1-methyl-3-oxo-propylidene]amino]pyridine-3-carboxamide CAS Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]pyridine-3-carboxamide Traditional Name: N-[(E)-[3-(1-adamantylamino)-3-keto-1-methyl-propylidene]amino]nicotinamide Formula: C20H26N4O2 MolecularWeight: 354.44604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CN=CC=C1)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C/C(=N\NC(=O)C1=CN=CC=C1)/CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N4O2/c1-13(23-24-19(26)17-3-2-4-21-12-17)5-18(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-4,12,14-16H,5-11H2,1H3,(H,22,25)(H,24,26)/b23-13+