4-azanyl-2-methyl-3-phenylmethoxy-5-[2-(prop-2-enoylamino)ethanoyl]-6-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide

Systemtic Name: 4-azanyl-2-methyl-3-phenylmethoxy-5-[2-(prop-2-enoylamino)ethanoyl]-6-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide Openeye Name: 4-amino-3-benzyloxy-2-methyl-5-[2-(prop-2-enoylamino)acetyl]-6-(3-pyridyl)-N-(2-pyridylmethyl)quinoline-7-carboxamide CAS Name: 4-amino-2-methyl-5-[1-oxo-2-(1-oxoprop-2-enylamino)ethyl]-3-phenylmethoxy-6-(3-pyridinyl)-N-(2-pyridinylmethyl)-7-quinolinecarboxamide IUPAC Name: 4-amino-2-methyl-3-phenylmethoxy-5-[2-(prop-2-enoylamino)acetyl]-6-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide Traditional Name: 5-(2-acrylamidoacetyl)-4-amino-3-benzoxy-2-methyl-6-(3-pyridyl)-N-(2-pyridylmethyl)quinoline-7-carboxamide Formula: C34H30N6O4 MolecularWeight: 586.6398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C(=C2)C(=O)NCC3=CC=CC=N3)C4=CN=CC=C4)C(=O)CNC(=O)C=C)C(=C1OCC5=CC=CC=C5)N

Isomeric SMILES

CC1=NC2=C(C(=C(C(=C2)C(=O)NCC3=CC=CC=N3)C4=CN=CC=C4)C(=O)CNC(=O)C=C)C(=C1OCC5=CC=CC=C5)N

InChI

InChI=1S/C34H30N6O4/c1-3-28(42)38-19-27(41)31-29(23-12-9-14-36-17-23)25(34(43)39-18-24-13-7-8-15-37-24)16-26-30(31)32(35)33(21(2)40-26)44-20-22-10-5-4-6-11-22/h3-17H,1,18-20H2,2H3,(H2,35,40)(H,38,42)(H,39,43)