2-[5-[1,4-bis(oxidanylidene)naphthalen-2-yl]-1-pentyl-pyrrol-2-yl]naphthalene-1,4-dione

Systemtic Name: 2-[5-[1,4-bis(oxidanylidene)naphthalen-2-yl]-1-pentyl-pyrrol-2-yl]naphthalene-1,4-dione Openeye Name: 2-[5-(1,4-dioxo-2-naphthyl)-1-pentyl-pyrrol-2-yl]naphthalene-1,4-dione CAS Name: 2-[5-(1,4-dioxo-2-naphthalenyl)-1-pentyl-2-pyrrolyl]naphthalene-1,4-dione IUPAC Name: 2-[5-(1,4-dioxonaphthalen-2-yl)-1-pentylpyrrol-2-yl]naphthalene-1,4-dione Traditional Name: 2-[1-amyl-5-(1,4-diketo-2-naphthyl)pyrrol-2-yl]-1,4-naphthoquinone Formula: C29H23NO4 MolecularWeight: 449.49722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CC=C1C2=CC(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCN1C(=CC=C1C2=CC(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H23NO4/c1-2-3-8-15-30-24(22-16-26(31)18-9-4-6-11-20(18)28(22)33)13-14-25(30)23-17-27(32)19-10-5-7-12-21(19)29(23)34/h4-7,9-14,16-17H,2-3,8,15H2,1H3