2,7-bis(azanyl)-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]heptan-1-one

Systemtic Name: 2,7-bis(azanyl)-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]heptan-1-one Openeye Name: 2,7-diamino-1-[4-(1,1,3,3-tetramethylbutyl)phenyl]heptan-1-one CAS Name: 2,7-diamino-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1-heptanone IUPAC Name: 2,7-diamino-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]heptan-1-one Traditional Name: 2,7-diamino-1-[4-(1,1,3,3-tetramethylbutyl)phenyl]heptan-1-one Formula: C21H36N2O MolecularWeight: 332.52334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)C(=O)C(CCCCCN)N

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)C(=O)C(CCCCCN)N

InChI

InChI=1S/C21H36N2O/c1-20(2,3)15-21(4,5)17-12-10-16(11-13-17)19(24)18(23)9-7-6-8-14-22/h10-13,18H,6-9,14-15,22-23H2,1-5H3