3-(4-cyclohexylpiperazin-1-yl)carbonyl-4-phenyl-isochromen-1-one

Systemtic Name: 3-(4-cyclohexylpiperazin-1-yl)carbonyl-4-phenyl-isochromen-1-one Openeye Name: 3-(4-cyclohexylpiperazine-1-carbonyl)-4-phenyl-isochromen-1-one CAS Name: 3-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-4-phenyl-2-benzopyran-1-one IUPAC Name: 3-(4-cyclohexylpiperazine-1-carbonyl)-4-phenylisochromen-1-one Traditional Name: 3-(4-cyclohexylpiperazine-1-carbonyl)-4-phenyl-isocoumarin Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

InChI

InChI=1S/C26H28N2O3/c29-25(28-17-15-27(16-18-28)20-11-5-2-6-12-20)24-23(19-9-3-1-4-10-19)21-13-7-8-14-22(21)26(30)31-24/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2