1-(4-chlorophenyl)-3-[1-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[1-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-[1-(1H-imidazol-5-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(4-chlorophenyl)-3-[1-(1H-imidazol-5-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[1-(1H-imidazol-5-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-[1-(1H-imidazol-5-ylmethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C26H21ClN6O2 MolecularWeight: 484.93694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=CN=CN4)NC(=O)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=CN=CN4)NC(=O)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN6O2/c27-18-10-12-19(13-11-18)30-26(35)32-24-25(34)33(15-20-14-28-16-29-20)22-9-5-4-8-21(22)23(31-24)17-6-2-1-3-7-17/h1-14,16,24H,15H2,(H,28,29)(H2,30,32,35)