N-[(E)-[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-chromen-4-ylidene]amino]quinazolin-4-amine

Systemtic Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-chromen-4-ylidene]amino]quinazolin-4-amine Openeye Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloro-7-methyl-chromen-4-ylidene]amino]quinazolin-4-amine CAS Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloro-7-methyl-1-benzopyran-4-ylidene]amino]-4-quinazolinamine IUPAC Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloro-7-methylchromen-4-ylidene]amino]quinazolin-4-amine Traditional Name: [(E)-[2-(4-tert-butylphenyl)-6-chloro-7-methyl-chromen-4-ylidene]amino]-quinazolin-4-yl-amine Formula: C28H25ClN4O MolecularWeight: 468.9773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN4O/c1-17-13-26-21(14-22(17)29)24(32-33-27-20-7-5-6-8-23(20)30-16-31-27)15-25(34-26)18-9-11-19(12-10-18)28(2,3)4/h5-16H,1-4H3,(H,30,31,33)/b32-24+