N-[(E)-1,3-bis(chloranyl)butan-2-ylideneamino]-5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-[(E)-1,3-bis(chloranyl)butan-2-ylideneamino]-5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: N-[(E)-[2-chloro-1-(chloromethyl)propylidene]amino]-5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 5-(2-chlorophenyl)-N-[(E)-1,3-dichlorobutan-2-ylideneamino]-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-(2-chlorophenyl)-N-[(E)-1,3-dichlorobutan-2-ylideneamino]-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [(E)-[2-chloro-1-(chloromethyl)propylidene]amino]-[5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C20H16Cl3F3N4 MolecularWeight: 475.72205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NNC1=NC2=C(C=C(C=C2)C(F)(F)F)C(=NC1)C3=CC=CC=C3Cl)CCl)Cl

Isomeric SMILES

CC(/C(=N/NC1=NC2=C(C=C(C=C2)C(F)(F)F)C(=NC1)C3=CC=CC=C3Cl)/CCl)Cl

InChI

InChI=1S/C20H16Cl3F3N4/c1-11(22)17(9-21)29-30-18-10-27-19(13-4-2-3-5-15(13)23)14-8-12(20(24,25)26)6-7-16(14)28-18/h2-8,11H,9-10H2,1H3,(H,28,30)/b29-17+