(2S,5S)-5-(hydroxymethyl)-1-methyl-8-octyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-8-octyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one Openeye Name: (2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-8-octyl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one CAS Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-8-octyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-8-octyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one Traditional Name: (2S,5S)-2-isopropyl-1-methyl-5-methylol-8-octyl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one Formula: C24H40N2O2 MolecularWeight: 388.5866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2CCC(NC(=O)C(N(C2=CC=C1)C)C(C)C)CO

Isomeric SMILES

CCCCCCCCC1=C2CC[C@H](NC(=O)[C@@H](N(C2=CC=C1)C)C(C)C)CO

InChI

InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1