7-chloranyl-N-(2,2-diethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-chloranyl-N-(2,2-diethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-N-(2,2-diethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-(2,2-diethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-N-(2,2-diethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine Traditional Name: (7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)-(2,2-diethoxyethyl)amine Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC(CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)OCC

InChI

InChI=1S/C21H24ClN3O2/c1-3-26-20(27-4-2)14-23-19-13-24-21(15-8-6-5-7-9-15)17-12-16(22)10-11-18(17)25-19/h5-12,20H,3-4,13-14H2,1-2H3,(H,23,25)