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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCC(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[C@@H](C1)C(=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)35-13-12-20(16-35)29(37)34-21-8-10-25-23(14-21)28(32-18-31-25)33-22-9-11-26(24(30)15-22)38-17-19-6-4-3-5-7-19/h2-11,14-15,18,20H,1,12-13,16-17H2,(H,34,37)(H,31,32,33)/t20-/m0/s1