(3E)-1,5-didodecyl-3-(oxidanylmethylidene)-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-1,5-didodecyl-3-(oxidanylmethylidene)-1,4-benzodiazepin-2-one Openeye Name: (3E)-1,5-didodecyl-3-(hydroxymethylene)-1,4-benzodiazepin-2-one CAS Name: (3E)-1,5-didodecyl-3-(hydroxymethylidene)-1,4-benzodiazepin-2-one IUPAC Name: (3E)-1,5-didodecyl-3-(hydroxymethylidene)-1,4-benzodiazepin-2-one Traditional Name: (3E)-3-(hydroxymethylene)-1,5-dilauryl-1,4-benzodiazepin-2-one Formula: C34H56N2O2 MolecularWeight: 524.82064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC(=CO)C(=O)N(C2=CC=CC=C21)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=N/C(=C/O)/C(=O)N(C2=CC=CC=C21)CCCCCCCCCCCC

InChI

InChI=1S/C34H56N2O2/c1-3-5-7-9-11-13-15-17-19-21-26-31-30-25-22-23-27-33(30)36(34(38)32(29-37)35-31)28-24-20-18-16-14-12-10-8-6-4-2/h22-23,25,27,29,37H,3-21,24,26,28H2,1-2H3/b32-29+