7-chloranyl-5-dimorpholin-4-ylphosphoryloxy-N-methyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-chloranyl-5-dimorpholin-4-ylphosphoryloxy-N-methyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-5-dimorpholinophosphoryloxy-N-methyl-3H-1,4-benzodiazepin-2-amine CAS Name: 5-[bis(4-morpholinyl)phosphoryloxy]-7-chloro-N-methyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-5-dimorpholin-4-ylphosphoryloxy-N-methyl-3H-1,4-benzodiazepin-2-amine Traditional Name: (7-chloro-5-dimorpholinophosphoryloxy-3H-1,4-benzodiazepin-2-yl)-methyl-amine Formula: C18H25ClN5O4P MolecularWeight: 441.848961

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)OP(=O)(N3CCOCC3)N4CCOCC4

Isomeric SMILES

CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)OP(=O)(N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C18H25ClN5O4P/c1-20-17-13-21-18(15-12-14(19)2-3-16(15)22-17)28-29(25,23-4-8-26-9-5-23)24-6-10-27-11-7-24/h2-3,12H,4-11,13H2,1H3,(H,20,22)