N-[(E)-1-chloranylpropan-2-ylideneamino]-5-phenyl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-[(E)-1-chloranylpropan-2-ylideneamino]-5-phenyl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: N-[(E)-(2-chloro-1-methyl-ethylidene)amino]-5-phenyl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine CAS Name: N-[(E)-1-chloropropan-2-ylideneamino]-5-phenyl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-[(E)-1-chloropropan-2-ylideneamino]-5-phenyl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [(E)-(2-chloro-1-methyl-ethylidene)amino]-[5-phenyl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C19H16ClF3N4 MolecularWeight: 392.80535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClF3N4/c1-12(10-20)26-27-17-11-24-18(13-5-3-2-4-6-13)15-8-7-14(19(21,22)23)9-16(15)25-17/h2-9H,10-11H2,1H3,(H,25,27)/b26-12+