N-[(E)-[2-(4-tert-butylphenyl)-5,7-dimethyl-chromen-4-ylidene]amino]quinazolin-4-amine

Systemtic Name: N-[(E)-[2-(4-tert-butylphenyl)-5,7-dimethyl-chromen-4-ylidene]amino]quinazolin-4-amine Openeye Name: N-[(E)-[2-(4-tert-butylphenyl)-5,7-dimethyl-chromen-4-ylidene]amino]quinazolin-4-amine CAS Name: N-[(E)-[2-(4-tert-butylphenyl)-5,7-dimethyl-1-benzopyran-4-ylidene]amino]-4-quinazolinamine IUPAC Name: N-[(E)-[2-(4-tert-butylphenyl)-5,7-dimethylchromen-4-ylidene]amino]quinazolin-4-amine Traditional Name: [(E)-[2-(4-tert-butylphenyl)-5,7-dimethyl-chromen-4-ylidene]amino]-quinazolin-4-yl-amine Formula: C29H28N4O MolecularWeight: 448.55882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OC(=CC2=NNC3=NC=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C\2C(=C1)OC(=C/C2=N\NC3=NC=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C)C

InChI

InChI=1S/C29H28N4O/c1-18-14-19(2)27-24(32-33-28-22-8-6-7-9-23(22)30-17-31-28)16-25(34-26(27)15-18)20-10-12-21(13-11-20)29(3,4)5/h6-17H,1-5H3,(H,30,31,33)/b32-24+