N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]-5-chloranyl-2-oxidanyl-benzamide

Systemtic Name: N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]-5-chloranyl-2-oxidanyl-benzamide Openeye Name: N-[(E)-[3-(1-adamantylamino)-1-methyl-3-oxo-propylidene]amino]-5-chloro-2-hydroxy-benzamide CAS Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-5-chloro-2-hydroxybenzamide IUPAC Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-5-chloro-2-hydroxybenzamide Traditional Name: N-[(E)-[3-(1-adamantylamino)-3-keto-1-methyl-propylidene]amino]-5-chloro-2-hydroxy-benzamide Formula: C21H26ClN3O3 MolecularWeight: 403.90244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3/c1-12(24-25-20(28)17-8-16(22)2-3-18(17)26)4-19(27)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-3,8,13-15,26H,4-7,9-11H2,1H3,(H,23,27)(H,25,28)/b24-12+