N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-3-quinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(4-methylpiperazino)propyl]quinoline-3-carboxamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CN1CCN(CC1)CCCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H32N4O3/c1-29-11-13-30(14-12-29)9-4-10-31(20-21-7-8-25-26(17-21)34-16-15-33-25)27(32)23-18-22-5-2-3-6-24(22)28-19-23/h2-3,5-8,17-19H,4,9-16,20H2,1H3