1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]urea

Systemtic Name: 1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]urea Openeye Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[2-(4-pyridyl)ethynyl]phenyl]urea CAS Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]urea IUPAC Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[2-(4-pyridyl)ethynyl]phenyl]urea Formula: C32H33N5O2 MolecularWeight: 519.63672

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)C#CC4=CC=NC=C4)C5CCCCC5

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)C#CC4=CC=NC=C4)C5CCCCC5

InChI

InChI=1S/C32H33N5O2/c1-2-22-37-28-11-7-6-10-27(28)29(25-8-4-3-5-9-25)35-30(31(37)38)36-32(39)34-26-16-14-23(15-17-26)12-13-24-18-20-33-21-19-24/h6-7,10-11,14-21,25,30H,2-5,8-9,22H2,1H3,(H2,34,36,39)