CCOC(=O)N1CCN(c2ccc(-n3cnn(C(CC)C(=O)c4ccc(Cl)cc4)c3=O)cn2)CC1
이름: (±)-ethyl 4-[5-[2-[1-(4-chlorobenzoyl)propyl]-2,3-dihydro-3-oxo-4H-1,2,4-triazol-4-yl]-2-pyridinyl]-1-piperazinecarboxylate
IUPAC: ethyl 4-[5-[1-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILES: CCOC(=O)N1CCN(c2ccc(-n3cnn(C(CC)C(=O)c4ccc(Cl)cc4)c3=O)cn2)CC1
Canonical SMILES: CCC(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)N(C=N2)C3=CN=C(C=C3)N4CCN(CC4)C(=O)OCC
분자식: C24H27ClN6O4
분자량: 499.00
InChIKey: JJFSDSKMFRBALW-UHFFFAOYSA-N
InChI: InChI=1S/C24H27ClN6O4/c1-3-20(22(32)17-5-7-18(25)8-6-17)31-23(33)30(16-27-31)19-9-10-21(26-15-19)28-11-13-29(14-12-28)24(34)35-4-2/h5-10,15-16,20H,3-4,11-14H2,1-2H3
PubChem CID: 53958409

동의어

JJFSDSKMFRBALW-UHFFFAOYSA-N(+/-)-ethyl 4-[5-[2-[1-(4-chlorobenzoyl)propyl]-2,3-dihydro-3-oxo-4H-1,2,4-triazol-4-yl]-2-pyridinyl]-1-piperazinecarboxylate