2-[[5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate

Systemtic Name: 2-[[5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate Openeye Name: 2-[[5-[(E)-2-(3,4-dichlorophenyl)vinyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate CAS Name: 2-[[5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate IUPAC Name: 2-[[5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate Traditional Name: 2-[[5-[(E)-2-(3,4-dichlorophenyl)vinyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoate Formula: C25H19Cl2N2O2- MolecularWeight: 450.33656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2C(=N1)C=CC3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2C(=N1)/C=C/C3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C25H20Cl2N2O2/c26-21-11-9-17(15-22(21)27)10-12-23-20-7-3-4-8-24(20)29(14-13-28-23)16-18-5-1-2-6-19(18)25(30)31/h1-12,15H,13-14,16H2,(H,30,31)/p-1/b12-10+