(3E)-7-chloranyl-1-dodecyl-3-(oxidanylmethylidene)-5-phenyl-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-chloranyl-1-dodecyl-3-(oxidanylmethylidene)-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-1-dodecyl-3-(hydroxymethylene)-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-1-dodecyl-3-(hydroxymethylidene)-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-1-dodecyl-3-(hydroxymethylidene)-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-3-(hydroxymethylene)-1-lauryl-5-phenyl-1,4-benzodiazepin-2-one Formula: C28H35ClN2O2 MolecularWeight: 467.0427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(C=C(C=C2)Cl)C(=NC(=CO)C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(C=C(C=C2)Cl)C(=N/C(=C/O)/C1=O)C3=CC=CC=C3

InChI

InChI=1S/C28H35ClN2O2/c1-2-3-4-5-6-7-8-9-10-14-19-31-26-18-17-23(29)20-24(26)27(22-15-12-11-13-16-22)30-25(21-32)28(31)33/h11-13,15-18,20-21,32H,2-10,14,19H2,1H3/b25-21+