N-[(E)-[2-[(2-bromanyl-4-methyl-phenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide

Systemtic Name: N-[(E)-[2-[(2-bromanyl-4-methyl-phenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Openeye Name: N-[(E)-[2-[(2-bromo-4-methyl-phenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-[2-[(2-bromo-4-methylanilino)-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[2-[(2-bromo-4-methylphenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Traditional Name: N-[(E)-[2-[(2-bromo-4-methyl-phenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinaldamide Formula: C27H23BrN4O3 MolecularWeight: 531.40052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=NC5=CC=CC=C5C=C4)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=NC5=CC=CC=C5C=C4)C)Br

InChI

InChI=1S/C27H23BrN4O3/c1-15-10-12-20(18(28)14-15)30-27(34)25-16(2)24-21(8-5-9-23(24)35-25)31-32-26(33)22-13-11-17-6-3-4-7-19(17)29-22/h3-4,6-7,10-14H,5,8-9H2,1-2H3,(H,30,34)(H,32,33)/b31-21+