N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]-2-furamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H27N3O5/c1-15(2)20(23-21(26)18-4-3-11-28-18)22(27)25-9-7-24(8-10-25)13-16-5-6-17-19(12-16)30-14-29-17/h3-6,11-12,15,20H,7-10,13-14H2,1-2H3,(H,23,26)/t20-/m0/s1