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

Systemtic Name: [(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(3,4-dichlorophenyl)carbamate Openeye Name: [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-(3,4-dichlorophenyl)carbamate CAS Name: N-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)carbamate Traditional Name: N-(3,4-dichlorophenyl)carbamic acid [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C21H14BrCl2N5O2 MolecularWeight: 519.17816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrCl2N5O2/c22-12-4-7-17-14(9-12)20(18-3-1-2-8-25-18)26-11-19(28-17)29-31-21(30)27-13-5-6-15(23)16(24)10-13/h1-10H,11H2,(H,27,30)(H,28,29)