2-oxidanylidene-N-[3-(2-phenylazanylquinazolin-6-yl)prop-2-ynyl]-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[3-(2-phenylazanylquinazolin-6-yl)prop-2-ynyl]-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: N-[3-(2-anilinoquinazolin-6-yl)prop-2-ynyl]-2-oxo-1-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: N-[3-(2-anilino-6-quinazolinyl)prop-2-ynyl]-2-oxo-1-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: N-[3-(2-anilinoquinazolin-6-yl)prop-2-ynyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: N-[3-(2-anilinoquinazolin-6-yl)prop-2-ynyl]-2-keto-1-(3-pyridylmethyl)nicotinamide Formula: C29H22N6O2 MolecularWeight: 486.52398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C3C=C(C=CC3=N2)C#CCNC(=O)C4=CC=CN(C4=O)CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C3C=C(C=CC3=N2)C#CCNC(=O)C4=CC=CN(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C29H22N6O2/c36-27(25-11-6-16-35(28(25)37)20-22-8-4-14-30-18-22)31-15-5-7-21-12-13-26-23(17-21)19-32-29(34-26)33-24-9-2-1-3-10-24/h1-4,6,8-14,16-19H,15,20H2,(H,31,36)(H,32,33,34)