(E)-N-(4-azanyl-2-butan-2-yl-quinolin-6-yl)-3-(4-iodophenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-azanyl-2-butan-2-yl-quinolin-6-yl)-3-(4-iodophenyl)prop-2-enamide Openeye Name: (E)-N-(4-amino-2-sec-butyl-6-quinolyl)-3-(4-iodophenyl)prop-2-enamide CAS Name: (E)-N-(4-amino-2-butan-2-yl-6-quinolinyl)-3-(4-iodophenyl)-2-propenamide IUPAC Name: (E)-N-(4-amino-2-butan-2-ylquinolin-6-yl)-3-(4-iodophenyl)prop-2-enamide Traditional Name: (E)-N-(4-amino-2-sec-butyl-6-quinolyl)-3-(4-iodophenyl)acrylamide Formula: C22H22IN3O MolecularWeight: 471.33405

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC2=C(C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)I)C(=C1)N

Isomeric SMILES

CCC(C)C1=NC2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)I)C(=C1)N

InChI

InChI=1S/C22H22IN3O/c1-3-14(2)21-13-19(24)18-12-17(9-10-20(18)26-21)25-22(27)11-6-15-4-7-16(23)8-5-15/h4-14H,3H2,1-2H3,(H2,24,26)(H,25,27)/b11-6+