N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine

Systemtic Name: N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine Openeye Name: N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-2-(trichloromethyl)quinazolin-4-amine CAS Name: N-[(E)-(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-2-(trichloromethyl)-4-quinazolinamine IUPAC Name: N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine Traditional Name: [(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-[2-(trichloromethyl)quinazolin-4-yl]amine Formula: C22H18Cl3N5 MolecularWeight: 458.77082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC3=NC(=NC4=CC=CC=C43)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N/NC3=NC(=NC4=CC=CC=C43)C(Cl)(Cl)Cl

InChI

InChI=1S/C22H18Cl3N5/c1-14-12-16(15(2)30(14)17-8-4-3-5-9-17)13-26-29-20-18-10-6-7-11-19(18)27-21(28-20)22(23,24)25/h3-13H,1-2H3,(H,27,28,29)/b26-13+