5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-(4-methylpentyl)azepan-2-one

Systemtic Name: 5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-(4-methylpentyl)azepan-2-one Openeye Name: 5-[4-(furan-2-carbonyl)piperazin-1-yl]-1-isohexyl-azepan-2-one CAS Name: 5-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-(4-methylpentyl)-2-azepanone IUPAC Name: 5-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylpentyl)azepan-2-one Traditional Name: 5-[4-(2-furoyl)piperazino]-1-isohexyl-azepan-2-one Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCC(CCC1=O)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)CCCN1CCC(CCC1=O)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H33N3O3/c1-17(2)5-3-10-23-11-9-18(7-8-20(23)25)22-12-14-24(15-13-22)21(26)19-6-4-16-27-19/h4,6,16-18H,3,5,7-15H2,1-2H3