4-[3-(diethylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[3-(diethylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-[3-(diethylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[3-(diethylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[3-(diethylamino)propyliminomethyl]-2-(4-ethoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-[3-(diethylamino)propyliminomethyl]-2-p-phenetyl-4H-isoquinoline-1,3-quinone Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-4-27(5-2)17-9-16-26-18-23-21-10-7-8-11-22(21)24(29)28(25(23)30)19-12-14-20(15-13-19)31-6-3/h7-8,10-15,18,23H,4-6,9,16-17H2,1-3H3