N-[(E)-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]quinazolin-4-amine

Systemtic Name: N-[(E)-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]quinazolin-4-amine Openeye Name: N-[(E)-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]quinazolin-4-amine CAS Name: N-[(E)-[2-(3,4-dimethoxyphenyl)-6-ethyl-1-benzopyran-4-ylidene]amino]-4-quinazolinamine IUPAC Name: N-[(E)-[2-(3,4-dimethoxyphenyl)-6-ethylchromen-4-ylidene]amino]quinazolin-4-amine Traditional Name: [(E)-[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]-quinazolin-4-yl-amine Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=NNC3=NC=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCC1=CC\2=C(C=C1)OC(=C/C2=N\NC3=NC=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C27H24N4O3/c1-4-17-9-11-23-20(13-17)22(30-31-27-19-7-5-6-8-21(19)28-16-29-27)15-25(34-23)18-10-12-24(32-2)26(14-18)33-3/h5-16H,4H2,1-3H3,(H,28,29,31)/b30-22+