4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisocarbostyril Formula: C25H31FN3O3+ MolecularWeight: 440.530343

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O3/c1-3-27-12-14-28(15-13-27)25(31)22-20-6-4-5-7-21(20)24(30)29(16-17-32-2)23(22)18-8-10-19(26)11-9-18/h4-11,22-23H,3,12-17H2,1-2H3/p+1