1-[4-[5-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonylfuran-2-yl]phenyl]ethanone

Systemtic Name: 1-[4-[5-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonylfuran-2-yl]phenyl]ethanone Openeye Name: 1-[4-[5-[4-(8-quinolylmethyl)piperazine-1-carbonyl]-2-furyl]phenyl]ethanone CAS Name: 1-[4-[5-[oxo-[4-(8-quinolinylmethyl)-1-piperazinyl]methyl]-2-furanyl]phenyl]ethanone IUPAC Name: 1-[4-[5-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone Traditional Name: 1-[4-[5-[4-(8-quinolylmethyl)piperazine-1-carbonyl]-2-furyl]phenyl]ethanone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H25N3O3/c1-19(31)20-7-9-21(10-8-20)24-11-12-25(33-24)27(32)30-16-14-29(15-17-30)18-23-5-2-4-22-6-3-13-28-26(22)23/h2-13H,14-18H2,1H3