N-[(E)-[2-(4-tert-butylphenyl)-6-chloranyl-chromen-4-ylidene]amino]quinolin-2-amine

Systemtic Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloranyl-chromen-4-ylidene]amino]quinolin-2-amine Openeye Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloro-chromen-4-ylidene]amino]quinolin-2-amine CAS Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloro-1-benzopyran-4-ylidene]amino]-2-quinolinamine IUPAC Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chlorochromen-4-ylidene]amino]quinolin-2-amine Traditional Name: [(E)-[2-(4-tert-butylphenyl)-6-chloro-chromen-4-ylidene]amino]-(2-quinolyl)amine Formula: C28H24ClN3O MolecularWeight: 453.96266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NNC3=NC4=CC=CC=C4C=C3)C5=C(O2)C=CC(=C5)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C/C(=N\NC3=NC4=CC=CC=C4C=C3)/C5=C(O2)C=CC(=C5)Cl

InChI

InChI=1S/C28H24ClN3O/c1-28(2,3)20-11-8-19(9-12-20)26-17-24(22-16-21(29)13-14-25(22)33-26)31-32-27-15-10-18-6-4-5-7-23(18)30-27/h4-17H,1-3H3,(H,30,32)/b31-24+