3-[4-azanyl-2-methyl-3-phenylmethoxy-5-[2-(prop-2-enoylamino)ethanoyl]quinolin-6-yl]-N-prop-1-ynyl-pyridine-2-carboxamide

Systemtic Name: 3-[4-azanyl-2-methyl-3-phenylmethoxy-5-[2-(prop-2-enoylamino)ethanoyl]quinolin-6-yl]-N-prop-1-ynyl-pyridine-2-carboxamide Openeye Name: 3-[4-amino-3-benzyloxy-2-methyl-5-[2-(prop-2-enoylamino)acetyl]-6-quinolyl]-N-prop-1-ynyl-pyridine-2-carboxamide CAS Name: 3-[4-amino-2-methyl-5-[1-oxo-2-(1-oxoprop-2-enylamino)ethyl]-3-phenylmethoxy-6-quinolinyl]-N-prop-1-ynyl-2-pyridinecarboxamide IUPAC Name: 3-[4-amino-2-methyl-3-phenylmethoxy-5-[2-(prop-2-enoylamino)acetyl]quinolin-6-yl]-N-prop-1-ynylpyridine-2-carboxamide Traditional Name: 3-[5-(2-acrylamidoacetyl)-4-amino-3-benzoxy-2-methyl-6-quinolyl]-N-prop-1-ynyl-picolinamide Formula: C31H27N5O4 MolecularWeight: 533.57718

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Descriptors Computed from Structure

Canonical SMILES:

CC#CNC(=O)C1=C(C=CC=N1)C2=C(C3=C(C=C2)N=C(C(=C3N)OCC4=CC=CC=C4)C)C(=O)CNC(=O)C=C

Isomeric SMILES

CC#CNC(=O)C1=C(C=CC=N1)C2=C(C3=C(C=C2)N=C(C(=C3N)OCC4=CC=CC=C4)C)C(=O)CNC(=O)C=C

InChI

InChI=1S/C31H27N5O4/c1-4-15-34-31(39)29-22(12-9-16-33-29)21-13-14-23-27(26(21)24(37)17-35-25(38)5-2)28(32)30(19(3)36-23)40-18-20-10-7-6-8-11-20/h5-14,16H,2,17-18H2,1,3H3,(H2,32,36)(H,34,39)(H,35,38)