2,3-dimethoxy-5-methyl-6-[(3-piperidin-1-ylcarbonyl-4-pyridin-3-yl-phenyl)methyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-methyl-6-[(3-piperidin-1-ylcarbonyl-4-pyridin-3-yl-phenyl)methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-[[3-(piperidine-1-carbonyl)-4-(3-pyridyl)phenyl]methyl]-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-[[3-[oxo(1-piperidinyl)methyl]-4-(3-pyridinyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-[[3-(piperidine-1-carbonyl)-4-pyridin-3-ylphenyl]methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3-dimethoxy-5-methyl-6-[3-(piperidine-1-carbonyl)-4-(3-pyridyl)benzyl]-p-benzoquinone Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=C(C=C2)C3=CN=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=C(C=C2)C3=CN=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C27H28N2O5/c1-17-21(24(31)26(34-3)25(33-2)23(17)30)14-18-9-10-20(19-8-7-11-28-16-19)22(15-18)27(32)29-12-5-4-6-13-29/h7-11,15-16H,4-6,12-14H2,1-3H3