2-methyl-5,8-bis(oxidanyl)-6-[(2-phenethylpiperidin-1-yl)methyl]naphthalene-1,4-dione

Systemtic Name: 2-methyl-5,8-bis(oxidanyl)-6-[(2-phenethylpiperidin-1-yl)methyl]naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-methyl-6-[(2-phenethyl-1-piperidyl)methyl]naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-methyl-6-[(2-phenethyl-1-piperidinyl)methyl]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-methyl-6-[(2-phenethylpiperidin-1-yl)methyl]naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-methyl-6-[(2-phenethylpiperidino)methyl]-1,4-naphthoquinone Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)CN3CCCCC3CCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)CN3CCCCC3CCC4=CC=CC=C4)O

InChI

InChI=1S/C25H27NO4/c1-16-13-20(27)23-22(24(16)29)21(28)14-18(25(23)30)15-26-12-6-5-9-19(26)11-10-17-7-3-2-4-8-17/h2-4,7-8,13-14,19,28,30H,5-6,9-12,15H2,1H3