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

Systemtic Name: 4-[[5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[(E)-2-(3,4-dichlorophenyl)vinyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid IUPAC Name: 4-[[5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[(E)-2-(3,4-dichlorophenyl)vinyl]-2,3-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid Formula: C25H20Cl2N2O2 MolecularWeight: 451.3445

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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=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(C2=CC=CC=C2C(=N1)/C=C/C3=CC(=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)C(=O)O

InChI

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