(3-methylfuran-2-yl)-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]methanone

Systemtic Name: (3-methylfuran-2-yl)-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)-1-piperidyl]-(3-methyl-2-furyl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazinyl)-1-piperidinyl]-(3-methyl-2-furanyl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazino)piperidino]-(3-methyl-2-furyl)methanone Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C(=O)N2CCC(C(C2)O)N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC=C1)C(=O)N2CC[C@H]([C@@H](C2)O)N3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3/c1-18-9-16-29-22(18)23(28)26-11-8-20(21(27)17-26)25-14-12-24(13-15-25)10-7-19-5-3-2-4-6-19/h2-6,9,16,20-21,27H,7-8,10-15,17H2,1H3/t20-,21-/m1/s1