8,8-dimethyl-2-(3-methylbutylamino)-5-[(4-phenethylphenyl)methyl]-1-pyridin-3-yl-nonane-3,6-dione

Systemtic Name: 8,8-dimethyl-2-(3-methylbutylamino)-5-[(4-phenethylphenyl)methyl]-1-pyridin-3-yl-nonane-3,6-dione Openeye Name: 2-(isopentylamino)-8,8-dimethyl-5-[(4-phenethylphenyl)methyl]-1-(3-pyridyl)nonane-3,6-dione CAS Name: 8,8-dimethyl-2-(3-methylbutylamino)-5-[(4-phenethylphenyl)methyl]-1-(3-pyridinyl)nonane-3,6-dione IUPAC Name: 8,8-dimethyl-2-(3-methylbutylamino)-5-[(4-phenethylphenyl)methyl]-1-pyridin-3-ylnonane-3,6-dione Traditional Name: 2-(isoamylamino)-8,8-dimethyl-5-(4-phenethylbenzyl)-1-(3-pyridyl)nonane-3,6-dione Formula: C36H48N2O2 MolecularWeight: 540.77852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(CC1=CN=CC=C1)C(=O)CC(CC2=CC=C(C=C2)CCC3=CC=CC=C3)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)CCNC(CC1=CN=CC=C1)C(=O)CC(CC2=CC=C(C=C2)CCC3=CC=CC=C3)C(=O)CC(C)(C)C

InChI

InChI=1S/C36H48N2O2/c1-27(2)19-21-38-33(23-31-12-9-20-37-26-31)34(39)24-32(35(40)25-36(3,4)5)22-30-17-15-29(16-18-30)14-13-28-10-7-6-8-11-28/h6-12,15-18,20,26-27,32-33,38H,13-14,19,21-25H2,1-5H3