N-[2-[3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-oxidanylidene-imidazol-1-yl]ethyl]cyclopropanecarboxamide

Systemtic Name: N-[2-[3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-oxidanylidene-imidazol-1-yl]ethyl]cyclopropanecarboxamide Openeye Name: N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxo-imidazol-1-yl]ethyl]cyclopropanecarboxamide CAS Name: N-[2-[3-[4-(3-ethynylanilino)-6-quinazolinyl]-2-oxo-1-imidazolyl]ethyl]cyclopropanecarboxamide IUPAC Name: N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]cyclopropanecarboxamide Traditional Name: N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-keto-4-imidazolin-1-yl]ethyl]cyclopropanecarboxamide Formula: C25H22N6O2 MolecularWeight: 438.48118

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=CN(C4=O)CCNC(=O)C5CC5

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N4C=CN(C4=O)CCNC(=O)C5CC5

InChI

InChI=1S/C25H22N6O2/c1-2-17-4-3-5-19(14-17)29-23-21-15-20(8-9-22(21)27-16-28-23)31-13-12-30(25(31)33)11-10-26-24(32)18-6-7-18/h1,3-5,8-9,12-16,18H,6-7,10-11H2,(H,26,32)(H,27,28,29)