2-cyano-N,N-bis[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]butanamide

Systemtic Name: 2-cyano-N,N-bis[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]butanamide Openeye Name: 2-cyano-N,N-bis[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]butanamide CAS Name: 2-cyano-N,N-bis[3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynyl]butanamide IUPAC Name: 2-cyano-N,N-bis[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]butanamide Traditional Name: 2-cyano-N,N-bis[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]butyramide Formula: C51H40N10O3 MolecularWeight: 840.9285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C(=O)N(CC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CN=CC=C4)C)CC#CC5=CC6=C(C=C5)N=CN=C6NC7=CC(=C(C=C7)OC8=CN=CC=C8)C

Isomeric SMILES

CCC(C#N)C(=O)N(CC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CN=CC=C4)C)CC#CC5=CC6=C(C=C5)N=CN=C6NC7=CC(=C(C=C7)OC8=CN=CC=C8)C

InChI

InChI=1S/C51H40N10O3/c1-4-38(29-52)51(62)61(23-7-9-36-13-17-45-43(27-36)49(57-32-55-45)59-39-15-19-47(34(2)25-39)63-41-11-5-21-53-30-41)24-8-10-37-14-18-46-44(28-37)50(58-33-56-46)60-40-16-20-48(35(3)26-40)64-42-12-6-22-54-31-42/h5-6,11-22,25-28,30-33,38H,4,23-24H2,1-3H3,(H,55,57,59)(H,56,58,60)