2-methoxy-N,N-bis[(E)-3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-enyl]ethanamide

Systemtic Name: 2-methoxy-N,N-bis[(E)-3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-enyl]ethanamide Openeye Name: 2-methoxy-N,N-bis[(E)-3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]allyl]acetamide CAS Name: 2-methoxy-N,N-bis[(E)-3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-enyl]acetamide IUPAC Name: 2-methoxy-N,N-bis[(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-enyl]acetamide Traditional Name: 2-methoxy-N,N-bis[(E)-3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]allyl]acetamide Formula: C49H43N9O4 MolecularWeight: 821.92362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C=CCN(CC=CC4=CC5=C(C=C4)N=CN=C5NC6=CC(=C(C=C6)OC7=CN=CC=C7)C)C(=O)COC)OC8=CN=CC=C8

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)/C=C/CN(C(=O)COC)C/C=C/C4=CC5=C(N=CN=C5NC6=CC(=C(C=C6)OC7=CN=CC=C7)C)C=C4)OC8=CN=CC=C8

InChI

InChI=1S/C49H43N9O4/c1-33-24-37(14-18-45(33)61-39-10-4-20-50-28-39)56-48-41-26-35(12-16-43(41)52-31-54-48)8-6-22-58(47(59)30-60-3)23-7-9-36-13-17-44-42(27-36)49(55-32-53-44)57-38-15-19-46(34(2)25-38)62-40-11-5-21-51-29-40/h4-21,24-29,31-32H,22-23,30H2,1-3H3,(H,52,54,56)(H,53,55,57)/b8-6+,9-7+