5-(2-chlorophenyl)-N-[(E)-1,1-diethoxybutan-2-ylideneamino]-7-fluoranyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-(2-chlorophenyl)-N-[(E)-1,1-diethoxybutan-2-ylideneamino]-7-fluoranyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-(2-chlorophenyl)-N-[(E)-1-(diethoxymethyl)propylideneamino]-7-fluoro-3H-1,4-benzodiazepin-2-amine CAS Name: 5-(2-chlorophenyl)-N-[(E)-1,1-diethoxybutan-2-ylideneamino]-7-fluoro-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-(2-chlorophenyl)-N-[(E)-1,1-diethoxybutan-2-ylideneamino]-7-fluoro-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-(2-chlorophenyl)-7-fluoro-3H-1,4-benzodiazepin-2-yl]-[(E)-1-(diethoxymethyl)propylideneamino]amine Formula: C23H26ClFN4O2 MolecularWeight: 444.929543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=C(C=C(C=C2)F)C(=NC1)C3=CC=CC=C3Cl)C(OCC)OCC

Isomeric SMILES

CC/C(=N\NC1=NC2=C(C=C(C=C2)F)C(=NC1)C3=CC=CC=C3Cl)/C(OCC)OCC

InChI

InChI=1S/C23H26ClFN4O2/c1-4-19(23(30-5-2)31-6-3)28-29-21-14-26-22(16-9-7-8-10-18(16)24)17-13-15(25)11-12-20(17)27-21/h7-13,23H,4-6,14H2,1-3H3,(H,27,29)/b28-19+