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

Systemtic Name: [(7-bromanyl-3-oxidanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-phenylcarbamate Openeye Name: [[7-bromo-3-hydroxy-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [[7-bromo-3-hydroxy-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]amino] ester IUPAC Name: [(7-bromo-3-hydroxy-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [[7-bromo-3-hydroxy-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C21H16BrN5O3 MolecularWeight: 466.28744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)ONC2=NC3=C(C=C(C=C3)Br)C(=NC2O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)ONC2=NC3=C(C=C(C=C3)Br)C(=NC2O)C4=CC=CC=N4

InChI

InChI=1S/C21H16BrN5O3/c22-13-9-10-16-15(12-13)18(17-8-4-5-11-23-17)26-20(28)19(25-16)27-30-21(29)24-14-6-2-1-3-7-14/h1-12,20,28H,(H,24,29)(H,25,27)