4-azanyl-2-methyl-3-phenylmethoxy-5-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyl]-N-(pyridin-4-ylmethyl)quinoline-6-carboxamide

Systemtic Name: 4-azanyl-2-methyl-3-phenylmethoxy-5-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyl]-N-(pyridin-4-ylmethyl)quinoline-6-carboxamide Openeye Name: 4-amino-3-benzyloxy-2-methyl-5-[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]-N-(4-pyridylmethyl)quinoline-6-carboxamide CAS Name: 4-amino-2-methyl-5-[1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl]-3-phenylmethoxy-N-(pyridin-4-ylmethyl)-6-quinolinecarboxamide IUPAC Name: 4-amino-2-methyl-3-phenylmethoxy-5-[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]-N-(pyridin-4-ylmethyl)quinoline-6-carboxamide Traditional Name: 4-amino-3-benzoxy-2-methyl-5-[2-[[(E)-3-phenylacryloyl]amino]acetyl]-N-(4-pyridylmethyl)quinoline-6-carboxamide Formula: C35H31N5O4 MolecularWeight: 585.65174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2)C(=O)NCC3=CC=NC=C3)C(=O)CNC(=O)C=CC4=CC=CC=C4)C(=C1OCC5=CC=CC=C5)N

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2)C(=O)NCC3=CC=NC=C3)C(=O)CNC(=O)/C=C/C4=CC=CC=C4)C(=C1OCC5=CC=CC=C5)N

InChI

InChI=1S/C35H31N5O4/c1-23-34(44-22-26-10-6-3-7-11-26)33(36)32-28(40-23)14-13-27(35(43)39-20-25-16-18-37-19-17-25)31(32)29(41)21-38-30(42)15-12-24-8-4-2-5-9-24/h2-19H,20-22H2,1H3,(H2,36,40)(H,38,42)(H,39,43)/b15-12+