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

Systemtic Name: (2S)-N-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]quinazolin-6-yl]-1-prop-2-enoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(4-benzyloxy-3-chloro-anilino)quinazolin-6-yl]-1-prop-2-enoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-(3-chloro-4-phenylmethoxyanilino)-6-quinazolinyl]-1-(1-oxoprop-2-enyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(3-chloro-4-phenylmethoxyanilino)quinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-acryloyl-N-[4-(4-benzoxy-3-chloro-anilino)quinazolin-6-yl]pyrrolidine-2-carboxamide Formula: C29H26ClN5O3 MolecularWeight: 528.00144

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

C=CC(=O)N1CCC[C@H]1C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H26ClN5O3/c1-2-27(36)35-14-6-9-25(35)29(37)34-20-10-12-24-22(15-20)28(32-18-31-24)33-21-11-13-26(23(30)16-21)38-17-19-7-4-3-5-8-19/h2-5,7-8,10-13,15-16,18,25H,1,6,9,14,17H2,(H,34,37)(H,31,32,33)/t25-/m0/s1