3-(cyclohexylmethoxy)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]chromen-4-one

Systemtic Name: 3-(cyclohexylmethoxy)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]chromen-4-one Openeye Name: 3-(cyclohexylmethoxy)-2-[4-[4-(2-pyridyl)piperazin-1-yl]phenyl]chromen-4-one CAS Name: 3-(cyclohexylmethoxy)-2-[4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]-1-benzopyran-4-one IUPAC Name: 3-(cyclohexylmethoxy)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]chromen-4-one Traditional Name: 3-(cyclohexylmethoxy)-2-[4-[4-(2-pyridyl)piperazino]phenyl]chromone Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

C1CCC(CC1)COC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C31H33N3O3/c35-29-26-10-4-5-11-27(26)37-30(31(29)36-22-23-8-2-1-3-9-23)24-13-15-25(16-14-24)33-18-20-34(21-19-33)28-12-6-7-17-32-28/h4-7,10-17,23H,1-3,8-9,18-22H2