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

Systemtic Name: [(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(3-bromophenyl)carbamate Openeye Name: [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-(3-bromophenyl)carbamate CAS Name: N-(3-bromophenyl)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-bromophenyl)carbamate Traditional Name: N-(3-bromophenyl)carbamic acid [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C21H15Br2N5O2 MolecularWeight: 529.1841

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H15Br2N5O2/c22-13-4-3-5-15(10-13)26-21(29)30-28-19-12-25-20(18-6-1-2-9-24-18)16-11-14(23)7-8-17(16)27-19/h1-11H,12H2,(H,26,29)(H,27,28)