(E)-1-(4-cycloheptylcarbonylpiperazin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-cycloheptylcarbonylpiperazin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(cycloheptanecarbonyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[cycloheptyl(oxo)methyl]-1-piperazinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(cycloheptanecarbonyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(cycloheptanecarbonyl)piperazino]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4/c25-20(12-11-17-7-5-6-10-19(17)24(27)28)22-13-15-23(16-14-22)21(26)18-8-3-1-2-4-9-18/h5-7,10-12,18H,1-4,8-9,13-16H2/b12-11+