N-[1-[[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[3-chloro-4-(3-oxo-1-piperazinyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[3-chloro-4-(3-oxopiperazin-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[[3-chloro-4-(3-ketopiperazino)phenyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C26H35ClN4O3 MolecularWeight: 487.0341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)N2CCNC(=O)C2)Cl)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NC1=CC(=C(C=C1)N2CCNC(=O)C2)Cl)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35ClN4O3/c1-15(2)23(30-25(34)26-11-16-7-17(12-26)9-18(8-16)13-26)24(33)29-19-3-4-21(20(27)10-19)31-6-5-28-22(32)14-31/h3-4,10,15-18,23H,5-9,11-14H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)