6,9-bis(azanyl)-7-(2-methylpropyl)-1-phenyl-dodecan-5-one

Systemtic Name: 6,9-bis(azanyl)-7-(2-methylpropyl)-1-phenyl-dodecan-5-one Openeye Name: 6,9-diamino-7-isobutyl-1-phenyl-dodecan-5-one CAS Name: 6,9-diamino-7-(2-methylpropyl)-1-phenyl-5-dodecanone IUPAC Name: 6,9-diamino-7-(2-methylpropyl)-1-phenyldodecan-5-one Traditional Name: 6,9-diamino-7-isobutyl-1-phenyl-dodecan-5-one Formula: C22H38N2O MolecularWeight: 346.54992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CC(C)C)C(C(=O)CCCCC1=CC=CC=C1)N)N

Isomeric SMILES

CCCC(CC(CC(C)C)C(C(=O)CCCCC1=CC=CC=C1)N)N

InChI

InChI=1S/C22H38N2O/c1-4-10-20(23)16-19(15-17(2)3)22(24)21(25)14-9-8-13-18-11-6-5-7-12-18/h5-7,11-12,17,19-20,22H,4,8-10,13-16,23-24H2,1-3H3