4-(4-phenylpiperazin-1-yl)carbonylspiro[4H-isochromene-3,1'-cyclohexane]-1-one

Systemtic Name: 4-(4-phenylpiperazin-1-yl)carbonylspiro[4H-isochromene-3,1'-cyclohexane]-1-one Openeye Name: 4'-(4-phenylpiperazine-1-carbonyl)spiro[cyclohexane-1,3'-isochromane]-1'-one CAS Name: 4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-spiro[3,4-dihydro-1H-2-benzopyran-3,1'-cyclohexane]one IUPAC Name: 4-(4-phenylpiperazine-1-carbonyl)spiro[4H-isochromene-3,1'-cyclohexane]-1-one Traditional Name: 4'-(4-phenylpiperazine-1-carbonyl)spiro[cyclohexane-1,3'-isochroman]-1'-one Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C3=CC=CC=C3C(=O)O2)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)C(C3=CC=CC=C3C(=O)O2)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N2O3/c28-23(27-17-15-26(16-18-27)19-9-3-1-4-10-19)22-20-11-5-6-12-21(20)24(29)30-25(22)13-7-2-8-14-25/h1,3-6,9-12,22H,2,7-8,13-18H2