6-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 6-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)-4H-isoquinoline-1,3-dione Openeye Name: 6-methoxy-5-pentoxy-2-[2-(4-pyridyl)ethyl]-4H-isoquinoline-1,3-dione CAS Name: 6-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 6-methoxy-5-pentoxy-2-(2-pyridin-4-ylethyl)-4H-isoquinoline-1,3-dione Traditional Name: 5-amoxy-6-methoxy-2-[2-(4-pyridyl)ethyl]-4H-isoquinoline-1,3-quinone Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C1CC(=O)N(C2=O)CCC3=CC=NC=C3)OC

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1CC(=O)N(C2=O)CCC3=CC=NC=C3)OC

InChI

InChI=1S/C22H26N2O4/c1-3-4-5-14-28-21-18-15-20(25)24(13-10-16-8-11-23-12-9-16)22(26)17(18)6-7-19(21)27-2/h6-9,11-12H,3-5,10,13-15H2,1-2H3