4-cyclohexyl-6-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]chromen-2-one

Systemtic Name: 4-cyclohexyl-6-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]chromen-2-one Openeye Name: 4-cyclohexyl-6-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]chromen-2-one CAS Name: 4-cyclohexyl-6-[3-[4-(4-nitrophenyl)-1-piperazinyl]propoxy]-1-benzopyran-2-one IUPAC Name: 4-cyclohexyl-6-[3-[4-(4-nitrophenyl)piperazin-1-yl]propoxy]chromen-2-one Traditional Name: 4-cyclohexyl-6-[3-[4-(4-nitrophenyl)piperazino]propoxy]coumarin Formula: C28H33N3O5 MolecularWeight: 491.57872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=O)OC3=C2C=C(C=C3)OCCCN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC(=O)OC3=C2C=C(C=C3)OCCCN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H33N3O5/c32-28-20-25(21-5-2-1-3-6-21)26-19-24(11-12-27(26)36-28)35-18-4-13-29-14-16-30(17-15-29)22-7-9-23(10-8-22)31(33)34/h7-12,19-21H,1-6,13-18H2