4-[(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)oxy-morpholin-4-yl-phosphoryl]morpholine

Systemtic Name: 4-[(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)oxy-morpholin-4-yl-phosphoryl]morpholine Openeye Name: 4-[[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]oxy-morpholino-phosphoryl]morpholine CAS Name: 4-[[7-bromo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]oxy-(4-morpholinyl)phosphoryl]morpholine IUPAC Name: 4-[(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)oxy-morpholin-4-ylphosphoryl]morpholine Traditional Name: 4-[[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]oxy-morpholino-phosphoryl]morpholine Formula: C22H25BrN5O4P MolecularWeight: 534.342761

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1P(=O)(N2CCOCC2)OC3=NC4=C(C=C(C=C4)Br)C(=NC3)C5=CC=CC=N5

Isomeric SMILES

C1COCCN1P(=O)(N2CCOCC2)OC3=NC4=C(C=C(C=C4)Br)C(=NC3)C5=CC=CC=N5

InChI

InChI=1S/C22H25BrN5O4P/c23-17-4-5-19-18(15-17)22(20-3-1-2-6-24-20)25-16-21(26-19)32-33(29,27-7-11-30-12-8-27)28-9-13-31-14-10-28/h1-6,15H,7-14,16H2