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

Systemtic Name: 4-(3-methylbutyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-(isopentyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-(3-methylbutyliminomethyl)-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-(3-methylbutyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-(isoamyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C20H21N3O2 MolecularWeight: 335.39964

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=N3

Isomeric SMILES

CC(C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

InChI

InChI=1S/C20H21N3O2/c1-14(2)10-12-21-13-17-15-7-3-4-8-16(15)19(24)23(20(17)25)18-9-5-6-11-22-18/h3-9,11,13-14,17H,10,12H2,1-2H3