2-[(4-hexylphenyl)amino]-6-methyl-1,5-diazabicyclo[3.2.1]oct-2-ene-4,8-dione

Systemtic Name: 2-[(4-hexylphenyl)amino]-6-methyl-1,5-diazabicyclo[3.2.1]oct-2-ene-4,8-dione Openeye Name: 2-(4-hexylanilino)-6-methyl-1,5-diazabicyclo[3.2.1]oct-2-ene-4,8-dione CAS Name: 2-(4-hexylanilino)-6-methyl-1,5-diazabicyclo[3.2.1]oct-2-ene-4,8-dione IUPAC Name: 2-(4-hexylanilino)-6-methyl-1,5-diazabicyclo[3.2.1]oct-2-ene-4,8-dione Traditional Name: 2-(4-hexylanilino)-6-methyl-1,5-diazabicyclo[3.2.1]oct-2-ene-4,8-quinone Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC2=CC(=O)N3C(CN2C3=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC2=CC(=O)N3C(CN2C3=O)C

InChI

InChI=1S/C19H25N3O2/c1-3-4-5-6-7-15-8-10-16(11-9-15)20-17-12-18(23)22-14(2)13-21(17)19(22)24/h8-12,14,20H,3-7,13H2,1-2H3