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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCC1C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

C=CC(=O)N1CC[C@H]1C(=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)34-13-12-24(34)28(36)33-19-8-10-23-21(14-19)27(31-17-30-23)32-20-9-11-25(22(29)15-20)37-16-18-6-4-3-5-7-18/h2-11,14-15,17,24H,1,12-13,16H2,(H,33,36)(H,30,31,32)/t24-/m0/s1