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

Systemtic Name: N-[(E)-[3-methyl-2-[(4-methylpiperazin-1-yl)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Openeye Name: N-[(E)-[3-methyl-2-[(4-methylpiperazin-1-yl)carbamoyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-[3-methyl-2-[[(4-methyl-1-piperazinyl)amino]-oxomethyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[3-methyl-2-[(4-methylpiperazin-1-yl)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Traditional Name: N-[(E)-[3-methyl-2-[(4-methylpiperazino)carbamoyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinaldamide Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=NC4=CC=CC=C4C=C3)CCC2)C(=O)NN5CCN(CC5)C

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=NC4=CC=CC=C4C=C3)/CCC2)C(=O)NN5CCN(CC5)C

InChI

InChI=1S/C25H28N6O3/c1-16-22-19(27-28-24(32)20-11-10-17-6-3-4-7-18(17)26-20)8-5-9-21(22)34-23(16)25(33)29-31-14-12-30(2)13-15-31/h3-4,6-7,10-11H,5,8-9,12-15H2,1-2H3,(H,28,32)(H,29,33)/b27-19+