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

Systemtic Name: N-[(E)-3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide Openeye Name: N-[(E)-3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]allyl]cyclopropanecarboxamide CAS Name: N-[(E)-3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-enyl]cyclopropanecarboxamide IUPAC Name: N-[(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide Traditional Name: N-[(E)-3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]allyl]cyclopropanecarboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C=CCNC(=O)C4CC4)OC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)/C=C/CNC(=O)C4CC4)OC5=CN=CC=C5

InChI

InChI=1S/C27H25N5O2/c1-18-14-21(9-11-25(18)34-22-5-3-12-28-16-22)32-26-23-15-19(6-10-24(23)30-17-31-26)4-2-13-29-27(33)20-7-8-20/h2-6,9-12,14-17,20H,7-8,13H2,1H3,(H,29,33)(H,30,31,32)/b4-2+