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

Systemtic Name: [(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(3-fluorophenyl)carbamate Openeye Name: [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-(3-fluorophenyl)carbamate CAS Name: N-(3-fluorophenyl)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-fluorophenyl)carbamate Traditional Name: N-(3-fluorophenyl)carbamic acid [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C21H15BrFN5O2 MolecularWeight: 468.278503

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrFN5O2/c22-13-7-8-17-16(10-13)20(18-6-1-2-9-24-18)25-12-19(27-17)28-30-21(29)26-15-5-3-4-14(23)11-15/h1-11H,12H2,(H,26,29)(H,27,28)