N2-[(5-methylfuran-2-yl)methyl]-N5-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]quinoline-2,5-diamine

Systemtic Name: N2-[(5-methylfuran-2-yl)methyl]-N5-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]quinoline-2,5-diamine Openeye Name: N2-[(5-methyl-2-furyl)methyl]-N5-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]quinoline-2,5-diamine CAS Name: N2-[(5-methyl-2-furanyl)methyl]-N5-[[2-(4-methyl-1-piperazinyl)phenyl]methyl]quinoline-2,5-diamine IUPAC Name: 2-N-[(5-methylfuran-2-yl)methyl]-5-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]quinoline-2,5-diamine Traditional Name: (5-methyl-2-furyl)methyl-[5-[[2-(4-methylpiperazino)benzyl]amino]-2-quinolyl]amine Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC2=NC3=C(C=C2)C(=CC=C3)NCC4=CC=CC=C4N5CCN(CC5)C

Isomeric SMILES

CC1=CC=C(O1)CNC2=NC3=C(C=C2)C(=CC=C3)NCC4=CC=CC=C4N5CCN(CC5)C

InChI

InChI=1S/C27H31N5O/c1-20-10-11-22(33-20)19-29-27-13-12-23-24(7-5-8-25(23)30-27)28-18-21-6-3-4-9-26(21)32-16-14-31(2)15-17-32/h3-13,28H,14-19H2,1-2H3,(H,29,30)