4-(2-dimethylaminoethyl)-N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2-dimethylaminoethyl)-N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]piperazine-1-carboxamide Openeye Name: 4-(2-dimethylaminoethyl)-N-[4-(3-ethynylanilino)quinazolin-6-yl]piperazine-1-carboxamide CAS Name: 4-(2-dimethylaminoethyl)-N-[4-(3-ethynylanilino)-6-quinazolinyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-dimethylaminoethyl)-N-[4-(3-ethynylanilino)quinazolin-6-yl]piperazine-1-carboxamide Traditional Name: 4-(2-dimethylaminoethyl)-N-[4-(3-ethynylanilino)quinazolin-6-yl]piperazine-1-carboxamide Formula: C25H29N7O MolecularWeight: 443.54406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

Isomeric SMILES

CN(C)CCN1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C25H29N7O/c1-4-19-6-5-7-20(16-19)28-24-22-17-21(8-9-23(22)26-18-27-24)29-25(33)32-14-12-31(13-15-32)11-10-30(2)3/h1,5-9,16-18H,10-15H2,2-3H3,(H,29,33)(H,26,27,28)