1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione Openeye Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione CAS Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione IUPAC Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione Traditional Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-methoxyphenyl)ethane-1,2-dione Formula: C28H26N4O3 MolecularWeight: 466.53104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=O)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(=O)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C28H26N4O3/c1-35-25-10-7-21(8-11-25)27(33)28(34)32-14-13-31(18-24-16-29-19-30-24)26-12-9-22(15-23(26)17-32)20-5-3-2-4-6-20/h2-12,15-16,19H,13-14,17-18H2,1H3,(H,29,30)