1-(3-cyanophenyl)-3-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(3-cyanophenyl)-3-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-cyanophenyl)-3-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(3-cyanophenyl)-3-[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C32H25N5O3 MolecularWeight: 527.5726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C32H25N5O3/c1-21-10-5-6-15-25(21)28(38)20-37-27-17-8-7-16-26(27)29(23-12-3-2-4-13-23)35-30(31(37)39)36-32(40)34-24-14-9-11-22(18-24)19-33/h2-18,30H,20H2,1H3,(H2,34,36,40)