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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylspiro[4H-isochromene-3,1'-cyclohexane]-1-one Openeye Name: 4'-[4-(3-chlorophenyl)piperazine-1-carbonyl]spiro[cyclohexane-1,3'-isochromane]-1'-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-spiro[3,4-dihydro-1H-2-benzopyran-3,1'-cyclohexane]one IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]spiro[4H-isochromene-3,1'-cyclohexane]-1-one Traditional Name: 4'-[4-(3-chlorophenyl)piperazine-1-carbonyl]spiro[cyclohexane-1,3'-isochroman]-1'-one Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O3/c26-18-7-6-8-19(17-18)27-13-15-28(16-14-27)23(29)22-20-9-2-3-10-21(20)24(30)31-25(22)11-4-1-5-12-25/h2-3,6-10,17,22H,1,4-5,11-16H2