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

Systemtic Name: (2S)-N-[4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]quinazolin-6-yl]-1-prop-2-enoyl-piperidine-2-carboxamide Openeye Name: (2S)-N-[4-(4-benzyloxy-3-chloro-anilino)quinazolin-6-yl]-1-prop-2-enoyl-piperidine-2-carboxamide CAS Name: (2S)-N-[4-(3-chloro-4-phenylmethoxyanilino)-6-quinazolinyl]-1-(1-oxoprop-2-enyl)-2-piperidinecarboxamide IUPAC Name: (2S)-N-[4-(3-chloro-4-phenylmethoxyanilino)quinazolin-6-yl]-1-prop-2-enoylpiperidine-2-carboxamide Traditional Name: (2S)-1-acryloyl-N-[4-(4-benzoxy-3-chloro-anilino)quinazolin-6-yl]pipecolinamide Formula: C30H28ClN5O3 MolecularWeight: 542.02802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCCCC1C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

C=CC(=O)N1CCCC[C@H]1C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C30H28ClN5O3/c1-2-28(37)36-15-7-6-10-26(36)30(38)35-21-11-13-25-23(16-21)29(33-19-32-25)34-22-12-14-27(24(31)17-22)39-18-20-8-4-3-5-9-20/h2-5,8-9,11-14,16-17,19,26H,1,6-7,10,15,18H2,(H,35,38)(H,32,33,34)/t26-/m0/s1