N-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]quinazolin-6-yl]-1-prop-2-enoyl-azetidine-3-carboxamide

Systemtic Name: N-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]quinazolin-6-yl]-1-prop-2-enoyl-azetidine-3-carboxamide Openeye Name: N-[4-(4-benzyloxy-3-chloro-anilino)quinazolin-6-yl]-1-prop-2-enoyl-azetidine-3-carboxamide CAS Name: N-[4-(3-chloro-4-phenylmethoxyanilino)-6-quinazolinyl]-1-(1-oxoprop-2-enyl)-3-azetidinecarboxamide IUPAC Name: N-[4-(3-chloro-4-phenylmethoxyanilino)quinazolin-6-yl]-1-prop-2-enoylazetidine-3-carboxamide Traditional Name: 1-acryloyl-N-[4-(4-benzoxy-3-chloro-anilino)quinazolin-6-yl]azetidine-3-carboxamide Formula: C28H24ClN5O3 MolecularWeight: 513.97486

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CC(C1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

C=CC(=O)N1CC(C1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H24ClN5O3/c1-2-26(35)34-14-19(15-34)28(36)33-20-8-10-24-22(12-20)27(31-17-30-24)32-21-9-11-25(23(29)13-21)37-16-18-6-4-3-5-7-18/h2-13,17,19H,1,14-16H2,(H,33,36)(H,30,31,32)