[(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate

Systemtic Name: [(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate Openeye Name: [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-[3-(trifluoromethyl)phenyl]carbamate CAS Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [[7-bromo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]amino] ester IUPAC Name: [(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate Traditional Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C22H15BrF3N5O2 MolecularWeight: 518.28601

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3)NOC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3)NOC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H15BrF3N5O2/c23-14-7-8-17-16(11-14)20(18-6-1-2-9-27-18)28-12-19(30-17)31-33-21(32)29-15-5-3-4-13(10-15)22(24,25)26/h1-11H,12H2,(H,29,32)(H,30,31)