4-cyclopropylcarbonyl-N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]piperazine-1-carboxamide

Systemtic Name: 4-cyclopropylcarbonyl-N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]piperazine-1-carboxamide Openeye Name: 4-(cyclopropanecarbonyl)-N-[4-(3-ethynylanilino)quinazolin-6-yl]piperazine-1-carboxamide CAS Name: 4-[cyclopropyl(oxo)methyl]-N-[4-(3-ethynylanilino)-6-quinazolinyl]-1-piperazinecarboxamide IUPAC Name: 4-(cyclopropanecarbonyl)-N-[4-(3-ethynylanilino)quinazolin-6-yl]piperazine-1-carboxamide Traditional Name: 4-(cyclopropanecarbonyl)-N-[4-(3-ethynylanilino)quinazolin-6-yl]piperazine-1-carboxamide Formula: C25H24N6O2 MolecularWeight: 440.49706

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C25H24N6O2/c1-2-17-4-3-5-19(14-17)28-23-21-15-20(8-9-22(21)26-16-27-23)29-25(33)31-12-10-30(11-13-31)24(32)18-6-7-18/h1,3-5,8-9,14-16,18H,6-7,10-13H2,(H,29,33)(H,26,27,28)