6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile

Systemtic Name: 6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile Openeye Name: 6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile CAS Name: 6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile Traditional Name: 6-methoxy-7-[3-(4-methylpiperazino)propoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4CC4C5=CC=CC=C5)C#N)OC

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3N[C@@H]4C[C@H]4C5=CC=CC=C5)C#N)OC

InChI

InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1