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

Systemtic Name: N-[5-[4-azanyl-2-methyl-3-phenylmethoxy-5-[2-(prop-2-enoylamino)ethanoyl]quinolin-6-yl]pyridin-2-yl]pyridine-4-carboxamide Openeye Name: N-[5-[4-amino-3-benzyloxy-2-methyl-5-[2-(prop-2-enoylamino)acetyl]-6-quinolyl]-2-pyridyl]pyridine-4-carboxamide CAS Name: N-[5-[4-amino-2-methyl-5-[1-oxo-2-(1-oxoprop-2-enylamino)ethyl]-3-phenylmethoxy-6-quinolinyl]-2-pyridinyl]-4-pyridinecarboxamide IUPAC Name: N-[5-[4-amino-2-methyl-3-phenylmethoxy-5-[2-(prop-2-enoylamino)acetyl]quinolin-6-yl]pyridin-2-yl]pyridine-4-carboxamide Traditional Name: N-[5-[5-(2-acrylamidoacetyl)-4-amino-3-benzoxy-2-methyl-6-quinolyl]-2-pyridyl]isonicotinamide Formula: C33H28N6O4 MolecularWeight: 572.61322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H28N6O4/c1-3-28(41)37-18-26(40)29-24(23-9-12-27(36-17-23)39-33(42)22-13-15-35-16-14-22)10-11-25-30(29)31(34)32(20(2)38-25)43-19-21-7-5-4-6-8-21/h3-17H,1,18-19H2,2H3,(H2,34,38)(H,37,41)(H,36,39,42)