4'-(4-butan-2-ylpiperazin-1-yl)carbonylspiro[2-benzofuran-3,1'-cyclohexane]-1-one

Systemtic Name: 4'-(4-butan-2-ylpiperazin-1-yl)carbonylspiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-(4-sec-butylpiperazine-1-carbonyl)spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[(4-butan-2-yl-1-piperazinyl)-oxomethyl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-(4-butan-2-ylpiperazine-1-carbonyl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-(4-sec-butylpiperazine-1-carbonyl)spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C(=O)C2CCC3(CC2)C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC(C)N1CCN(CC1)C(=O)C2CCC3(CC2)C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H30N2O3/c1-3-16(2)23-12-14-24(15-13-23)20(25)17-8-10-22(11-9-17)19-7-5-4-6-18(19)21(26)27-22/h4-7,16-17H,3,8-15H2,1-2H3