4-acetamido-N-[(Z)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]benzamide

Systemtic Name: 4-acetamido-N-[(Z)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]benzamide Openeye Name: 4-acetamido-N-[(Z)-[3-(1-adamantylamino)-1-methyl-3-oxo-propylidene]amino]benzamide CAS Name: 4-acetamido-N-[(Z)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]benzamide IUPAC Name: 4-acetamido-N-[(Z)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]benzamide Traditional Name: 4-acetamido-N-[(Z)-[3-(1-adamantylamino)-3-keto-1-methyl-propylidene]amino]benzamide Formula: C23H30N4O3 MolecularWeight: 410.5093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)NC(=O)C)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-14(26-27-22(30)19-3-5-20(6-4-19)24-15(2)28)7-21(29)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h3-6,16-18H,7-13H2,1-2H3,(H,24,28)(H,25,29)(H,27,30)/b26-14-