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

Systemtic Name: [(7-bromanyl-3-oxidanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)-(3-chlorophenyl)amino] carbamate Openeye Name: (N-[7-bromo-3-hydroxy-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]-3-chloro-anilino) carbamate CAS Name: carbamic acid (N-[7-bromo-3-hydroxy-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]-3-chloroanilino) ester IUPAC Name: (N-(7-bromo-3-hydroxy-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)-3-chloroanilino) carbamate Traditional Name: carbamic acid (N-[7-bromo-3-hydroxy-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]-3-chloro-anilino) ester Formula: C21H15BrClN5O3 MolecularWeight: 500.7325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(C(=NC3=C2C=C(C=C3)Br)N(C4=CC(=CC=C4)Cl)OC(=O)N)O

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(C(=NC3=C2C=C(C=C3)Br)N(C4=CC(=CC=C4)Cl)OC(=O)N)O

InChI

InChI=1S/C21H15BrClN5O3/c22-12-7-8-16-15(10-12)18(17-6-1-2-9-25-17)27-20(29)19(26-16)28(31-21(24)30)14-5-3-4-13(23)11-14/h1-11,20,29H,(H2,24,30)