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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

C=CC(=O)N1CCC(CC1)C(=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)36-14-12-21(13-15-36)30(38)35-22-8-10-26-24(16-22)29(33-19-32-26)34-23-9-11-27(25(31)17-23)39-18-20-6-4-3-5-7-20/h2-11,16-17,19,21H,1,12-15,18H2,(H,35,38)(H,32,33,34)