4-[3-(2-methylpropoxy)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[3-(2-methylpropoxy)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-(3-isobutoxypropyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[3-(2-methylpropoxy)propyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[3-(2-methylpropoxy)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-(3-isobutoxypropyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-16(2)15-28-13-7-11-23-14-19-17-8-3-4-9-18(17)21(26)25(22(19)27)20-10-5-6-12-24-20/h3-6,8-10,12,14,16,19H,7,11,13,15H2,1-2H3