[(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(2,6-dimethylphenyl)carbamate

Systemtic Name: [(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(2,6-dimethylphenyl)carbamate Openeye Name: [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-(2,6-dimethylphenyl)carbamate CAS Name: N-(2,6-dimethylphenyl)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-(2,6-dimethylphenyl)carbamate Traditional Name: N-(2,6-dimethylphenyl)carbamic acid [[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C23H20BrN5O2 MolecularWeight: 478.3412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)ONC2=NC3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)ONC2=NC3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=N4

InChI

InChI=1S/C23H20BrN5O2/c1-14-6-5-7-15(2)21(14)28-23(30)31-29-20-13-26-22(19-8-3-4-11-25-19)17-12-16(24)9-10-18(17)27-20/h3-12H,13H2,1-2H3,(H,27,29)(H,28,30)