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

Systemtic Name: [(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-phenylcarbamate Openeye Name: [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-phenylcarbamate CAS Name: N-phenylcarbamic 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-phenylcarbamate Traditional Name: N-phenylcarbamic acid [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C21H16BrN5O2 MolecularWeight: 450.28804

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN5O2/c22-14-9-10-17-16(12-14)20(18-8-4-5-11-23-18)24-13-19(26-17)27-29-21(28)25-15-6-2-1-3-7-15/h1-12H,13H2,(H,25,28)(H,26,27)