N-[4-chloranyl-6-[[(2-methanoylphenyl)-prop-2-ynyl-amino]methyl]quinolin-2-yl]ethanamide

Systemtic Name: N-[4-chloranyl-6-[[(2-methanoylphenyl)-prop-2-ynyl-amino]methyl]quinolin-2-yl]ethanamide Openeye Name: N-[4-chloro-6-[(2-formyl-N-prop-2-ynyl-anilino)methyl]-2-quinolyl]acetamide CAS Name: N-[4-chloro-6-[(2-formyl-N-prop-2-ynylanilino)methyl]-2-quinolinyl]acetamide IUPAC Name: N-[4-chloro-6-[(2-formyl-N-prop-2-ynylanilino)methyl]quinolin-2-yl]acetamide Traditional Name: N-[4-chloro-6-[(2-formyl-N-propargyl-anilino)methyl]-2-quinolyl]acetamide Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=CC=C3C=O)C(=C1)Cl

Isomeric SMILES

CC(=O)NC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=CC=C3C=O)C(=C1)Cl

InChI

InChI=1S/C22H18ClN3O2/c1-3-10-26(21-7-5-4-6-17(21)14-27)13-16-8-9-20-18(11-16)19(23)12-22(25-20)24-15(2)28/h1,4-9,11-12,14H,10,13H2,2H3,(H,24,25,28)