2-(3-methoxyphenyl)-4-(3-methylbutyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3-methoxyphenyl)-4-(3-methylbutyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-(isopentyliminomethyl)-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(3-methoxyphenyl)-4-(3-methylbutyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-methoxyphenyl)-4-(3-methylbutyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-(isoamyliminomethyl)-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H24N2O3/c1-15(2)11-12-23-14-20-18-9-4-5-10-19(18)21(25)24(22(20)26)16-7-6-8-17(13-16)27-3/h4-10,13-15,20H,11-12H2,1-3H3