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

Systemtic Name: 2-chloranyl-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidyl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidino]-1,4-naphthoquinone Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C25H22ClN3O3/c1-32-17-8-6-15(7-9-17)20-14-21(28-27-20)16-10-12-29(13-11-16)23-22(26)24(30)18-4-2-3-5-19(18)25(23)31/h2-9,14,16H,10-13H2,1H3,(H,27,28)