4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-(4-fluorobenzyl)-3-(4-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C30H33FN3O3+ MolecularWeight: 502.599723

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H32FN3O3/c1-3-32-16-18-33(19-17-32)30(36)27-25-6-4-5-7-26(25)29(35)34(20-21-8-12-23(31)13-9-21)28(27)22-10-14-24(37-2)15-11-22/h4-15,27-28H,3,16-20H2,1-2H3/p+1