(3E)-7-chloranyl-3-[(dibutylamino)methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-chloranyl-3-[(dibutylamino)methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-3-[(dibutylamino)methylene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-3-[(dibutylamino)methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-3-[(dibutylamino)methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-3-[(dibutylamino)methylene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Formula: C25H30ClN3O MolecularWeight: 423.9782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C=C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

CCCCN(CCCC)/C=C/1\C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C

InChI

InChI=1S/C25H30ClN3O/c1-4-6-15-29(16-7-5-2)18-22-25(30)28(3)23-14-13-20(26)17-21(23)24(27-22)19-11-9-8-10-12-19/h8-14,17-18H,4-7,15-16H2,1-3H3/b22-18+