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

Systemtic Name: 2-methyl-5,8-bis(oxidanyl)-6-[(1-phenethylpyrrolidin-2-yl)methyl]naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-methyl-6-[(1-phenethylpyrrolidin-2-yl)methyl]naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-methyl-6-[(1-phenethyl-2-pyrrolidinyl)methyl]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-methyl-6-[(1-phenethylpyrrolidin-2-yl)methyl]naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-methyl-6-[(1-phenethylpyrrolidin-2-yl)methyl]-1,4-naphthoquinone Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)CC3CCCN3CCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)CC3CCCN3CCC4=CC=CC=C4)O

InChI

InChI=1S/C24H25NO4/c1-15-12-19(26)22-21(23(15)28)20(27)14-17(24(22)29)13-18-8-5-10-25(18)11-9-16-6-3-2-4-7-16/h2-4,6-7,12,14,18,27,29H,5,8-11,13H2,1H3