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

Systemtic Name: 5-bromanyl-N-[(E)-[3-methyl-2-[(4-methylpiperazin-1-yl)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(E)-[3-methyl-2-[(4-methylpiperazin-1-yl)carbamoyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(E)-[3-methyl-2-[[(4-methyl-1-piperazinyl)amino]-oxomethyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(E)-[3-methyl-2-[(4-methylpiperazin-1-yl)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(E)-[3-methyl-2-[(4-methylpiperazino)carbamoyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]nicotinamide Formula: C21H25BrN6O3 MolecularWeight: 489.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)NN4CCN(CC4)C

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)NN4CCN(CC4)C

InChI

InChI=1S/C21H25BrN6O3/c1-13-18-16(24-25-20(29)14-10-15(22)12-23-11-14)4-3-5-17(18)31-19(13)21(30)26-28-8-6-27(2)7-9-28/h10-12H,3-9H2,1-2H3,(H,25,29)(H,26,30)/b24-16+