1-[2-cyano-6-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]phenyl]urea

Systemtic Name: 1-[2-cyano-6-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]phenyl]urea Openeye Name: [2-cyano-6-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]phenyl]urea CAS Name: [2-cyano-6-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]phenyl]urea IUPAC Name: [2-cyano-6-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]phenyl]urea Traditional Name: [2-cyano-6-[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]phenyl]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)C4=CC=CC(=C4NC(=O)N)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)C4=CC=CC(=C4NC(=O)N)C#N)C5=CC=CC=C5

InChI

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