2-chloranyl-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-[3-(2-furyl)-1H-pyrazol-5-yl]-1-piperidyl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-[3-(2-furanyl)-1H-pyrazol-5-yl]-1-piperidinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidino]-1,4-naphthoquinone Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NN2)C3=CC=CO3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=CC=CO3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C22H18ClN3O3/c23-19-20(22(28)15-5-2-1-4-14(15)21(19)27)26-9-7-13(8-10-26)16-12-17(25-24-16)18-6-3-11-29-18/h1-6,11-13H,7-10H2,(H,24,25)