(2S,5S)-7-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5-dihydro-2H-1,4-benzodiazepin-3-one

Systemtic Name: (2S,5S)-7-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5-dihydro-2H-1,4-benzodiazepin-3-one Openeye Name: (2S,5S)-7-dec-1-ynyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-4,5-dihydro-2H-1,4-benzodiazepin-3-one CAS Name: (2S,5S)-7-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5-dihydro-2H-1,4-benzodiazepin-3-one IUPAC Name: (2S,5S)-7-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5-dihydro-2H-1,4-benzodiazepin-3-one Traditional Name: (2S,5S)-7-dec-1-ynyl-2-isopropyl-1-methyl-5-methylol-4,5-dihydro-2H-1,4-benzodiazepin-3-one Formula: C24H36N2O2 MolecularWeight: 384.55484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC2=C(C=C1)N(C(C(=O)NC2CO)C(C)C)C

Isomeric SMILES

CCCCCCCCC#CC1=CC2=C(C=C1)N([C@H](C(=O)N[C@@H]2CO)C(C)C)C

InChI

InChI=1S/C24H36N2O2/c1-5-6-7-8-9-10-11-12-13-19-14-15-22-20(16-19)21(17-27)25-24(28)23(18(2)3)26(22)4/h14-16,18,21,23,27H,5-11,17H2,1-4H3,(H,25,28)/t21-,23+/m1/s1