N-[2,6-bis(oxidanylidene)-1-pyridin-2-yl-piperidin-3-yl]-2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(oxidanylidene)-1-pyridin-2-yl-piperidin-3-yl]-2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanamide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[2,6-dioxo-1-(2-pyridyl)-3-piperidyl]acetamide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[2,6-dioxo-1-(2-pyridinyl)-3-piperidinyl]acetamide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(2,6-dioxo-1-pyridin-2-ylpiperidin-3-yl)acetamide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[2,6-diketo-1-(2-pyridyl)-3-piperidyl]acetamide Formula: C27H22BrN5O4 MolecularWeight: 560.39868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=O)C1NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CC(=O)N(C(=O)C1NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H22BrN5O4/c28-18-9-11-21-19(14-18)26(17-6-2-1-3-7-17)30-15-25(36)32(21)16-23(34)31-20-10-12-24(35)33(27(20)37)22-8-4-5-13-29-22/h1-9,11,13-14,20H,10,12,15-16H2,(H,31,34)