4-[[(4-butylphenyl)amino]methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione

Systemtic Name: 4-[[(4-butylphenyl)amino]methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Openeye Name: 4-[(4-butylanilino)methylene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione CAS Name: 4-[(4-butylanilino)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione IUPAC Name: 4-[(4-butylanilino)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Traditional Name: 4-[(4-butylanilino)methylene]-2-p-anisyl-isoquinoline-1,3-quinone Formula: C28H28N2O3 MolecularWeight: 440.53352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C28H28N2O3/c1-3-4-7-20-10-14-22(15-11-20)29-18-26-24-8-5-6-9-25(24)27(31)30(28(26)32)19-21-12-16-23(33-2)17-13-21/h5-6,8-18,29H,3-4,7,19H2,1-2H3