3-[[heptyl-(phenylmethyl)amino]methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[[heptyl-(phenylmethyl)amino]methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[[benzyl(heptyl)amino]methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[[heptyl-(phenylmethyl)amino]methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[[benzyl(heptyl)amino]methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[[benzyl(heptyl)amino]methyl]-4-hydroxy-1,2-naphthoquinone Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=CC=C1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCCCCCCN(CC1=CC=CC=C1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C25H29NO3/c1-2-3-4-5-11-16-26(17-19-12-7-6-8-13-19)18-22-23(27)20-14-9-10-15-21(20)24(28)25(22)29/h6-10,12-15,27H,2-5,11,16-18H2,1H3