8-(3-cyclopropyl-3-oxidanyl-but-1-ynyl)-2-(diethylamino)naphthalene-1,4-dione

Systemtic Name: 8-(3-cyclopropyl-3-oxidanyl-but-1-ynyl)-2-(diethylamino)naphthalene-1,4-dione Openeye Name: 8-(3-cyclopropyl-3-hydroxy-but-1-ynyl)-2-(diethylamino)naphthalene-1,4-dione CAS Name: 8-(3-cyclopropyl-3-hydroxybut-1-ynyl)-2-(diethylamino)naphthalene-1,4-dione IUPAC Name: 8-(3-cyclopropyl-3-hydroxybut-1-ynyl)-2-(diethylamino)naphthalene-1,4-dione Traditional Name: 8-(3-cyclopropyl-3-hydroxy-but-1-ynyl)-2-(diethylamino)-1,4-naphthoquinone Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C2=CC=CC(=C2C1=O)C#CC(C)(C3CC3)O

Isomeric SMILES

CCN(CC)C1=CC(=O)C2=CC=CC(=C2C1=O)C#CC(C)(C3CC3)O

InChI

InChI=1S/C21H23NO3/c1-4-22(5-2)17-13-18(23)16-8-6-7-14(19(16)20(17)24)11-12-21(3,25)15-9-10-15/h6-8,13,15,25H,4-5,9-10H2,1-3H3