1-[5-cyclohexyl-2-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-[5-cyclohexyl-2-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[5-cyclohexyl-2-oxo-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-[4-(4-pyridyl)piperazin-1-yl]phenyl]urea CAS Name: 1-[5-cyclohexyl-2-oxo-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-yl-1-piperazinyl)phenyl]urea IUPAC Name: 1-[5-cyclohexyl-2-oxo-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[5-cyclohexyl-2-keto-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-[4-(4-pyridyl)piperazino]phenyl]urea Formula: C33H36F3N7O2 MolecularWeight: 619.67985

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(F)(F)F)NC(=O)NC4=CC=C(C=C4)N5CCN(CC5)C6=CC=NC=C6

Isomeric SMILES

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(F)(F)F)NC(=O)NC4=CC=C(C=C4)N5CCN(CC5)C6=CC=NC=C6

InChI

InChI=1S/C33H36F3N7O2/c34-33(35,36)22-43-28-9-5-4-8-27(28)29(23-6-2-1-3-7-23)39-30(31(43)44)40-32(45)38-24-10-12-25(13-11-24)41-18-20-42(21-19-41)26-14-16-37-17-15-26/h4-5,8-17,23,30H,1-3,6-7,18-22H2,(H2,38,40,45)